1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one

C46H45FN4O — CID 158244514

IUPAC1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N(C)c3ccc(F)cc3)cc2c(=O)n1C(CCc1ccccc1)c1ccccc1.NC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C31H28FN3O.C15H17N/c1-22-33-29-19-18-27(34(2)26-16-14-25(32)15-17-26)21-28(29)31(36)35(22)30(24-11-7-4-8-12-24)20-13-23-9-5-3-6-10-23;16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h3-12,14-19,21,30H,13,20H2,1-2H3;1-10,15H,11-12,16H2
InChIKeyGFYMUJUARARWIP-UHFFFAOYSA-N
MW688.89 g/mol
LogP10.15
Rot. Bonds11

About 1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one

1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one (PubChem CID 158244514) has the molecular formula C46H45FN4O and a molecular weight of 688.89 g/mol. Its IUPAC name is 1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one
PubChem CID158244514
Molecular FormulaC46H45FN4O
Molecular Weight688.89 g/mol
Exact Mass688.36
IUPAC Name1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N(C)c3ccc(F)cc3)cc2c(=O)n1C(CCc1ccccc1)c1ccccc1.NC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C31H28FN3O.C15H17N/c1-22-33-29-19-18-27(34(2)26-16-14-25(32)15-17-26)21-28(29)31(36)35(22)30(24-11-7-4-8-12-24)20-13-23-9-5-3-6-10-23;16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h3-12,14-19,21,30H,13,20H2,1-2H3;1-10,15H,11-12,16H2
InChIKeyGFYMUJUARARWIP-UHFFFAOYSA-N
XLogP10.15
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.89
LogP ≤ 510.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one
CID 58187046
3-benzhydryl-6-(4-chloro-N-methylanilino)-2-methylquinazolin-4-one
CID 58187033
3-benzhydryl-6-(4-hydroxy-N-methylanilino)-2-methylquinazolin-4-one
CID 44513254
3-benzhydryl-6-(4-fluoro-N,3-dimethylanilino)-2-methylquinazolin-4-one;6-(N,4-dimethylanilino)-2-methyl-3-(2-methyl-1-phenylpropyl)quinazolin-4-one
CID 123421060
3-benzhydryl-2-methyl-6-(N-methyl-4-methylsulfonylanilino)quinazolin-4-one
CID 58187079
6-(4-fluorophenoxy)-3-[(2S)-1-methoxy-4-phenylbutan-2-yl]-2-methylquinazolin-4-one
CID 163793092
3-benzhydryl-6-(3-chloro-N-methylanilino)-2-methylquinazolin-4-one
CID 58186986
3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one
CID 58187140
2-[(3-benzhydryl-2-methyl-4-oxoquinazolin-6-yl)-methylamino]benzaldehyde
CID 88970144
methyl 3-[(3-benzhydryl-2-methyl-4-oxoquinazolin-6-yl)-methylamino]benzoate
CID 44514505
6-[3-fluoropropyl(methyl)amino]-3-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one
CID 58187208
6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one
CID 58187206

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one?
The IUPAC name of 1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one (CID 158244514) is 1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one.
What is the SMILES notation for 1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one?
The canonical SMILES for 1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one is Cc1nc2ccc(N(C)c3ccc(F)cc3)cc2c(=O)n1C(CCc1ccccc1)c1ccccc1.NC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one?
The InChIKey is GFYMUJUARARWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN3O.C15H17N/c1-22-33-29-19-18-27(34(2)26-16-14-25(32)15-17-26)21-28(29)31(36)35(22)30(24-11-7-4-8-12-24)20-13-23-9-5-3-6-10-23;16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h3-12,14-19,21,30H,13,20H2,1-2H3;1-10,15H,11-12,16H2.
What are the key properties of 1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one?
1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one has a molecular weight of 688.89 g/mol, XLogP of 10.15, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one is sourced from PubChem (CID 158244514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).