6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine

C23H21N3O3 — CID 117088726

IUPAC6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccccc3)c3cc(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C23H21N3O3/c1-27-17-11-9-15(10-12-17)22-25-19-14-21(29-3)20(28-2)13-18(19)23(26-22)24-16-7-5-4-6-8-16/h4-14H,1-3H3,(H,24,25,26)
InChIKeyBDIBZOJVMKVDHW-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.07
Rot. Bonds6

About 6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine

6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine (PubChem CID 117088726) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
PubChem CID117088726
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccccc3)c3cc(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C23H21N3O3/c1-27-17-11-9-15(10-12-17)22-25-19-14-21(29-3)20(28-2)13-18(19)23(26-22)24-16-7-5-4-6-8-16/h4-14H,1-3H3,(H,24,25,26)
InChIKeyBDIBZOJVMKVDHW-UHFFFAOYSA-N
XLogP5.07
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963225
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine
CID 117087219
6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 117087831
2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 117092365
2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine
CID 22330512
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682
6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine
CID 23738095
N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963104
1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol
CID 84977192
6-bromo-N,2-diphenylquinazolin-4-amine
CID 23910410
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine (CID 117088726) is 6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine is COc1ccc(-c2nc(Nc3ccccc3)c3cc(OC)c(OC)cc3n2)cc1.
What is the InChIKey of 6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine?
The InChIKey is BDIBZOJVMKVDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-27-17-11-9-15(10-12-17)22-25-19-14-21(29-3)20(28-2)13-18(19)23(26-22)24-16-7-5-4-6-8-16/h4-14H,1-3H3,(H,24,25,26).
What are the key properties of 6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine?
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine has a molecular weight of 387.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 117088726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).