4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride

C20H15Cl2N3O — CID 18593652

IUPAC4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
SMILESCl.Oc1ccc(Cl)cc1Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H14ClN3O.ClH/c21-14-10-11-18(25)17(12-14)23-20-15-8-4-5-9-16(15)22-19(24-20)13-6-2-1-3-7-13;/h1-12,25H,(H,22,23,24);1H
InChIKeyZQOFGVXJXDHVHL-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.82
Rot. Bonds3

About 4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride

4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride (PubChem CID 18593652) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
PubChem CID18593652
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
SMILESCl.Oc1ccc(Cl)cc1Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H14ClN3O.ClH/c21-14-10-11-18(25)17(12-14)23-20-15-8-4-5-9-16(15)22-19(24-20)13-6-2-1-3-7-13;/h1-12,25H,(H,22,23,24);1H
InChIKeyZQOFGVXJXDHVHL-UHFFFAOYSA-N
XLogP5.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 110431245
N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine
CID 134817436
4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol
CID 162237124
4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol
CID 137206086
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine
CID 3712512
2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine
CID 159596198
3-[(2-phenylquinazolin-4-yl)amino]benzoic acid;hydrochloride
CID 2894714
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
CID 135549514
4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine
CID 80773567

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride?
The IUPAC name of 4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride (CID 18593652) is 4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride.
What is the SMILES notation for 4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride?
The canonical SMILES for 4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride is Cl.Oc1ccc(Cl)cc1Nc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride?
The InChIKey is ZQOFGVXJXDHVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O.ClH/c21-14-10-11-18(25)17(12-14)23-20-15-8-4-5-9-16(15)22-19(24-20)13-6-2-1-3-7-13;/h1-12,25H,(H,22,23,24);1H.
What are the key properties of 4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride?
4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride has a molecular weight of 384.27 g/mol, XLogP of 5.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride is sourced from PubChem (CID 18593652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).