(7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

C22H20FN3O — CID 41386690

IUPAC(7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc1
InChIInChI=1S/C22H20FN3O/c1-13-3-5-15(6-4-13)16-11-19-21(20(27)12-16)14(2)24-22(26-19)25-18-9-7-17(23)8-10-18/h3-10,16H,11-12H2,1-2H3,(H,24,25,26)/t16-/m1/s1
InChIKeyQGGLHICEPBILOU-MRXNPFEDSA-N
MW361.42 g/mol
LogP4.89
Rot. Bonds3

About (7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

(7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41386690) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is (7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41386690
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name(7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc1
InChIInChI=1S/C22H20FN3O/c1-13-3-5-15(6-4-13)16-11-19-21(20(27)12-16)14(2)24-22(26-19)25-18-9-7-17(23)8-10-18/h3-10,16H,11-12H2,1-2H3,(H,24,25,26)/t16-/m1/s1
InChIKeyQGGLHICEPBILOU-MRXNPFEDSA-N
XLogP4.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-2-(4-fluoroanilino)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 41386692
(7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386580
2-(4-methoxyanilino)-7-(4-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 16583996
7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 17228743
(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1389056
(7S)-2-(4-fluoroanilino)-7-(2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 29156655
4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584112
(7R)-7-(2-methoxyphenyl)-4-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 28629818
(7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 41299879
(7R)-4-methyl-7-phenyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 41386841
(7S)-7-(3,4-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285745
(7R)-7-(3,4-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285748

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 41386690) is (7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc1.
What is the InChIKey of (7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QGGLHICEPBILOU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-13-3-5-15(6-4-13)16-11-19-21(20(27)12-16)14(2)24-22(26-19)25-18-9-7-17(23)8-10-18/h3-10,16H,11-12H2,1-2H3,(H,24,25,26)/t16-/m1/s1.
What are the key properties of (7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 361.42 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41386690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).