N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride

C23H22ClN3 — CID 2789700

IUPACN-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride
SMILESCCc1cccc(C)c1Nc1nc(-c2ccccc2)nc2ccccc12.Cl
InChIInChI=1S/C23H21N3.ClH/c1-3-17-13-9-10-16(2)21(17)25-23-19-14-7-8-15-20(19)24-22(26-23)18-11-5-4-6-12-18;/h4-15H,3H2,1-2H3,(H,24,25,26);1H
InChIKeyCQKHQMGSZKYNTA-UHFFFAOYSA-N
MW375.90 g/mol
LogP6.33
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride

N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride (PubChem CID 2789700) has the molecular formula C23H22ClN3 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride
PubChem CID2789700
Molecular FormulaC23H22ClN3
Molecular Weight375.90 g/mol
Exact Mass375.15
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride
SMILESCCc1cccc(C)c1Nc1nc(-c2ccccc2)nc2ccccc12.Cl
InChIInChI=1S/C23H21N3.ClH/c1-3-17-13-9-10-16(2)21(17)25-23-19-14-7-8-15-20(19)24-22(26-23)18-11-5-4-6-12-18;/h4-15H,3H2,1-2H3,(H,24,25,26);1H
InChIKeyCQKHQMGSZKYNTA-UHFFFAOYSA-N
XLogP6.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
CID 923999
4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 19988733
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
3-[(2-phenylquinazolin-4-yl)amino]benzoic acid;hydrochloride
CID 2894714
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759
2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine
CID 163767596
2-(4-ethylphenyl)-N-methylquinazolin-4-amine
CID 63500302
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine
CID 159596198

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride (CID 2789700) is N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride is CCc1cccc(C)c1Nc1nc(-c2ccccc2)nc2ccccc12.Cl.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride?
The InChIKey is CQKHQMGSZKYNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3.ClH/c1-3-17-13-9-10-16(2)21(17)25-23-19-14-7-8-15-20(19)24-22(26-23)18-11-5-4-6-12-18;/h4-15H,3H2,1-2H3,(H,24,25,26);1H.
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride?
N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 2789700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).