4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid

HCID 776448
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Basic information

CAS
332102-09-7
Standard SMILES
O=C(O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIKey
WWZYTCHSHCEEGJ-UHFFFAOYSA-N
Molecular formula
C21H15N3O2
Average molar mass
341.4 g/mol
Monoisotopic mass
341.11642673

Names & identifiers

Preferred name
4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid
IUPAC
4-[(4-phenylquinazolin-2-yl)amino]benzoic acid
English name
4-((4-phenylquinazolin-2-yl)amino)benzoic acid
Molecular formula
C21H15N3O2
Molecular weight
341.36

Names & synonyms

332102-09-74-[(4-phenylquinazolin-2-yl)amino]benzoic acid4-((4-phenylquinazolin-2-yl)amino)benzoic acid4-(4-phenylquinazolin-2-ylamino)benzoic acidMFCD020434624-[(4-Phenyl-2-quinazolinyl)amino]benzoic acidCBMicro_0057504-[(4-Phenyl-2-quinazolyl)amino]benzoic AcidOprea1_554716Oprea1_567616MLS000714366SCHEMBL4133067
Show more names
Benzoic acid, 4-[(4-phenyl-2-quinazolinyl)amino]-
CHEMBL1392714WWZYTCHSHCEEGJ-UHFFFAOYSA-NDTXSID601248944HMS2689J19SMSF0010243STL151118AKOS000638784AKOS005750940

Database identifiers

CAS
332102-09-7
PubChem CID
776448
DTXSID
DTXSID601248944
ChEMBL
CHEMBL1392714

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
75.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
26

Physicochemical properties

Boiling point
592 · 592.0±52.0 °C(Predicted)
Density
1.344 · 1.344±0.06 g/cm3(Predicted)
pka
3.84 · 3.84±0.10(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers6 total

宁波振岳医药科技有限公司19817745290 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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