N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine

C23H20ClN3O2 — CID 22693150

IUPACN-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(NC(c3ccccc3)c3ccccc3)c2cc1OC
InChIInChI=1S/C23H20ClN3O2/c1-28-19-13-17-18(14-20(19)29-2)25-23(24)27-22(17)26-21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H,25,26,27)
InChIKeyBPLMRCRESDIQLW-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.50
Rot. Bonds6

About N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine

N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine (PubChem CID 22693150) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine
PubChem CID22693150
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(NC(c3ccccc3)c3ccccc3)c2cc1OC
InChIInChI=1S/C23H20ClN3O2/c1-28-19-13-17-18(14-20(19)29-2)25-23(24)27-22(17)26-21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H,25,26,27)
InChIKeyBPLMRCRESDIQLW-UHFFFAOYSA-N
XLogP5.50
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid
CID 22693097
2-chloro-6,7-dimethoxy-N-pyridin-2-ylquinazolin-4-amine
CID 22692875
2-chloro-6,7-dimethoxy-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine
CID 169132994
N-[3-[(1R)-1-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-1,3-benzothiazol-6-amine
CID 169133018
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine
CID 175678331
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
N-butyl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22692586

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine (CID 22693150) is N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(Cl)nc(NC(c3ccccc3)c3ccccc3)c2cc1OC.
What is the InChIKey of N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is BPLMRCRESDIQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-28-19-13-17-18(14-20(19)29-2)25-23(24)27-22(17)26-21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H,25,26,27).
What are the key properties of N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine?
N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 405.89 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 22693150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).