2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine

C17H16ClN3O — CID 175678331

IUPAC2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine
SMILESCOc1ccc([C@H](C)Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C17H16ClN3O/c1-11(12-7-9-13(22-2)10-8-12)19-16-14-5-3-4-6-15(14)20-17(18)21-16/h3-11H,1-2H3,(H,19,20,21)/t11-/m0/s1
InChIKeyOZVDPPRBVIYNMN-NSHDSACASA-N
MW313.79 g/mol
LogP4.46
Rot. Bonds4

About 2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine

2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine (PubChem CID 175678331) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine
PubChem CID175678331
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine
SMILESCOc1ccc([C@H](C)Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C17H16ClN3O/c1-11(12-7-9-13(22-2)10-8-12)19-16-14-5-3-4-6-15(14)20-17(18)21-16/h3-11H,1-2H3,(H,19,20,21)/t11-/m0/s1
InChIKeyOZVDPPRBVIYNMN-NSHDSACASA-N
XLogP4.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021
2-chloro-N-(4-methylpent-1-yn-3-yl)quinazolin-4-amine
CID 114202742
(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride
CID 87276665
4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine
CID 80783257
2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine
CID 56575108
4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine
CID 80784422
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729179
N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693150
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
CID 68723199
2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 2790952
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine (CID 175678331) is 2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine is COc1ccc([C@H](C)Nc2nc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine?
The InChIKey is OZVDPPRBVIYNMN-NSHDSACASA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11(12-7-9-13(22-2)10-8-12)19-16-14-5-3-4-6-15(14)20-17(18)21-16/h3-11H,1-2H3,(H,19,20,21)/t11-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine?
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine has a molecular weight of 313.79 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 175678331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).