CAS 24365-65-9 3,4-Dihydro-3-methyl-2(1H)-quinazolinone (HCID 3846558)

Substructure search Find similar structures

Basic information

CAS: 24365-65-9
Standard SMILES: CN1Cc2ccccc2NC1=O
InChIKey: GINUUQLRYXHAPB-UHFFFAOYSA-N
Molecular formula: C9H10N2O
Average molar mass: 162.19 g/mol
Monoisotopic mass: 162.07931295

Names & identifiers

Preferred name: 3,4-Dihydro-3-methyl-2(1H)-quinazolinone
IUPAC: 3-methyl-1,4-dihydroquinazolin-2-one
English name: 3,4-Dihydro-3-methyl-2(1H)-quinazolinone
Molecular formula: C9H10N2O
Molecular weight: 162.19

Names & synonyms

24365-65-93,4-Dihydro-3-methyl-2(1H)-quinazolinoneDTXSID90397239RefChem:486164DTXCID80348098628-223-43-Methyl-3,4-Dihydroquinazolin-2(1h)-One3-methyl-1,4-dihydroquinazolin-2-one3-methyl-1,2,3,4-tetrahydroquinazolin-2-one3-methyl-3,4-dihydro-1H-quinazolin-2-oneMFCD001920433-methyl-3,4-dihydro-2(1H)-quinazolinone

Show more names

LABOTEST-BB LT00452379Vecabrutinib Impurity 173-Methyl-3,4-dihydro-1H-quizolin-2-one3,4-Dihydro-3-Methyl-2(1H)-quinazolinone 99%

CHEMBL12301893-methyl-1,3,4-trihydroquinazolin-2-one3PF2(1H)-Quinazolinone, 3,4-dihydro-3-methyl-SCHEMBL677636orb1302272SCHEMBL3755745SCHEMBL14608794

Database identifiers

CAS: 24365-65-9
PubChem CID: 3846558
DTXSID: DTXSID90397239
ChEMBL: CHEMBL1230189
EC Number: 628-223-4
Nikkaji: J466.166D

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 193

Physicochemical properties

Melting point: 200 · 200-203 °C (lit.)
Boiling point: 366 · 366.0±35.0 °C(Predicted)
Density: 1.159 · 1.159±0.06 g/cm3(Predicted)
pka: 15.05 · 15.05±0.20(Predicted)
InChI: 1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
InChIKey: GINUUQLRYXHAPB-UHFFFAOYSA-N
SMILES: CN1Cc2ccccc2NC1=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves