N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride

C20H15Cl2N3 — CID 2789498

IUPACN-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride
SMILESCl.Clc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C20H14ClN3.ClH/c21-15-9-6-10-16(13-15)22-20-17-11-4-5-12-18(17)23-19(24-20)14-7-2-1-3-8-14;/h1-13H,(H,22,23,24);1H
InChIKeyVDMVDIFOCCXPEI-UHFFFAOYSA-N
MW368.27 g/mol
LogP6.12
Rot. Bonds3

About N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride

N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride (PubChem CID 2789498) has the molecular formula C20H15Cl2N3 and a molecular weight of 368.27 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride
PubChem CID2789498
Molecular FormulaC20H15Cl2N3
Molecular Weight368.27 g/mol
Exact Mass367.06
IUPAC NameN-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride
SMILESCl.Clc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C20H14ClN3.ClH/c21-15-9-6-10-16(13-15)22-20-17-11-4-5-12-18(17)23-19(24-20)14-7-2-1-3-8-14;/h1-13H,(H,22,23,24);1H
InChIKeyVDMVDIFOCCXPEI-UHFFFAOYSA-N
XLogP6.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.27
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
4-(3-Chloroanilino)quinazoline
CID 128872
4-Anilinoquinazoline
CID 324081
2,4-Quinazolinediamine, 5-chloro-
CID 205130
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
4-Chloro-2,6-diphenylpyrimidine
CID 582041
N~2~-(3-chloro-4-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2972826
N,2-diphenylquinazolin-4-amine
CID 698960
6-Amino-4-(3-chloro-4-fluoroanilino)quinazoline
CID 10880751
Cyclohexanecarboxamide, N-(2-((3,4-dichlorophenyl)amino)-4-quinolinyl)-
CID 25191023
Quinazoline, 2,4-dianilino-
CID 213847

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride (CID 2789498) is N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride is Cl.Clc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride?
The InChIKey is VDMVDIFOCCXPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3.ClH/c21-15-9-6-10-16(13-15)22-20-17-11-4-5-12-18(17)23-19(24-20)14-7-2-1-3-8-14;/h1-13H,(H,22,23,24);1H.
What are the key properties of N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride?
N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride has a molecular weight of 368.27 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-phenylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 2789498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).