2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine

C23H20ClN3O2 — CID 88886862

IUPAC2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine
SMILESCOc1cccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1OC
InChIInChI=1S/C23H20ClN3O2/c1-28-19-13-6-10-16(21(19)29-2)14-25-22-20-17(15-8-4-3-5-9-15)11-7-12-18(20)26-23(24)27-22/h3-13H,14H2,1-2H3,(H,25,26,27)
InChIKeyXQXBFVMHRBGMJF-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.58
Rot. Bonds6

About 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine

2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine (PubChem CID 88886862) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine
PubChem CID88886862
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine
SMILESCOc1cccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1OC
InChIInChI=1S/C23H20ClN3O2/c1-28-19-13-6-10-16(21(19)29-2)14-25-22-20-17(15-8-4-3-5-9-15)11-7-12-18(20)26-23(24)27-22/h3-13H,14H2,1-2H3,(H,25,26,27)
InChIKeyXQXBFVMHRBGMJF-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine
CID 88886946
methyl 4-[[(2-chloro-5-phenylquinazolin-4-yl)amino]methyl]benzoate
CID 86670615
2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine
CID 88886857
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
N-benzyl-2,5-dichloroquinazolin-4-amine
CID 87550452
N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 936324
2-chloro-5-phenylquinazolin-4-amine
CID 141301329
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716521
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine
CID 146254293
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
2-chloro-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82460701

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine (CID 88886862) is 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine is COc1cccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1OC.
What is the InChIKey of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine?
The InChIKey is XQXBFVMHRBGMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-28-19-13-6-10-16(21(19)29-2)14-25-22-20-17(15-8-4-3-5-9-15)11-7-12-18(20)26-23(24)27-22/h3-13H,14H2,1-2H3,(H,25,26,27).
What are the key properties of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine?
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine has a molecular weight of 405.89 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine is sourced from PubChem (CID 88886862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).