(7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

C20H19N3O2S — CID 41064414

IUPAC(7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)cc1
InChIInChI=1S/C20H19N3O2S/c1-12-19-16(10-13(11-17(19)24)18-4-3-9-26-18)23-20(21-12)22-14-5-7-15(25-2)8-6-14/h3-9,13H,10-11H2,1-2H3,(H,21,22,23)/t13-/m0/s1
InChIKeyJDUWSKDIKIDBMP-ZDUSSCGKSA-N
MW365.46 g/mol
LogP4.51
Rot. Bonds4

About (7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

(7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41064414) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is (7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41064414
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name(7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)cc1
InChIInChI=1S/C20H19N3O2S/c1-12-19-16(10-13(11-17(19)24)18-4-3-9-26-18)23-20(21-12)22-14-5-7-15(25-2)8-6-14/h3-9,13H,10-11H2,1-2H3,(H,21,22,23)/t13-/m0/s1
InChIKeyJDUWSKDIKIDBMP-ZDUSSCGKSA-N
XLogP4.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

2-(4-methoxyanilino)-7-(4-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 16583996
(7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 41386826
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 66508167
(7R)-7-(2-methoxyphenyl)-4-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 28629818
(7S)-2-(4-fluoroanilino)-7-(2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 29156655
(7R)-7-(4-methoxyphenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 29101593
(7S)-2-(4-fluoroanilino)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 41386692
(7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 41299879
4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903095
(7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386580
4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584112
(7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386690

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (CID 41064414) is (7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)cc1.
What is the InChIKey of (7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is JDUWSKDIKIDBMP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-19-16(10-13(11-17(19)24)18-4-3-9-26-18)23-20(21-12)22-14-5-7-15(25-2)8-6-14/h3-9,13H,10-11H2,1-2H3,(H,21,22,23)/t13-/m0/s1.
What are the key properties of (7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
(7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 365.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41064414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).