1-Propanol, 3-[(7-chloro-4-quinolinyl)amino]-

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Basic information

CAS: 60548-22-3
Standard SMILES: OCCCNc1ccnc2cc(Cl)ccc12
InChIKey: MCVPFDOUKZBWJF-UHFFFAOYSA-N
Molecular formula: C12H13ClN2O
Average molar mass: 236.7 g/mol
Monoisotopic mass: 236.0716407

Names & identifiers

Preferred name: 1-Propanol, 3-[(7-chloro-4-quinolinyl)amino]-
IUPAC: 3-[(7-chloroquinolin-4-yl)amino]propan-1-ol
English name: 3-[(7-chloroquinolin-4-yl)amino]propan-1-ol
Molecular formula: C12H13ClN2O
Molecular weight: 236.69742

Names & synonyms

1-Propanol, 3-[(7-chloro-4-quinolinyl)amino]-60548-22-33-[(7-Chloroquinolin-4-yl)amino]propan-1-olCHEMBL4604183-[(7-chloro-4-quinolinyl)amino]-1-propanolNSC644813NCI60_015210SCHEMBL2528053DTXSID60327306MCVPFDOUKZBWJF-UHFFFAOYSA-NBDBM50233288AKOS008922782

Show more names

3-(7-chloroquinolin-4-ylamino)propan-1-ol3-[(7-chloro-4-quinolyl)amino]propan-1-ol3-(7-Chloro-quinolin-4-ylamino)-propan-1-olAA-504/36750027

Database identifiers

CAS: 60548-22-3
PubChem CID: 370995
DTXSID: DTXSID60327306
ChEMBL: CHEMBL460418

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 45.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 215

Related reactions

1 records

New reaction record

HRID 244387As productuspto-grants-2014_02

Compound notes

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