(7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

C20H19N3OS — CID 41386826

IUPAC(7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)c1
InChIInChI=1S/C20H19N3OS/c1-12-5-3-6-15(9-12)22-20-21-13(2)19-16(23-20)10-14(11-17(19)24)18-7-4-8-25-18/h3-9,14H,10-11H2,1-2H3,(H,21,22,23)/t14-/m0/s1
InChIKeyYWKIKMHAZXDGRF-AWEZNQCLSA-N
MW349.46 g/mol
LogP4.81
Rot. Bonds3

About (7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

(7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41386826) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is (7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41386826
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name(7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)c1
InChIInChI=1S/C20H19N3OS/c1-12-5-3-6-15(9-12)22-20-21-13(2)19-16(23-20)10-14(11-17(19)24)18-7-4-8-25-18/h3-9,14H,10-11H2,1-2H3,(H,21,22,23)/t14-/m0/s1
InChIKeyYWKIKMHAZXDGRF-AWEZNQCLSA-N
XLogP4.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 66508167
(7S)-2-(4-methoxyanilino)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 41064414
4,7-dimethyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 3159873
(7R)-7-(3,4-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285748
(7S)-7-(3,4-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285745
(7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386580
7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903010
(7R)-4-methyl-7-phenyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 41386841
4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903150
4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584112
4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 7601708
2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903079

Frequently Asked Questions

What is the IUPAC name of (7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (CID 41386826) is (7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is Cc1cccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)c1.
What is the InChIKey of (7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YWKIKMHAZXDGRF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-12-5-3-6-15(9-12)22-20-21-13(2)19-16(23-20)10-14(11-17(19)24)18-7-4-8-25-18/h3-9,14H,10-11H2,1-2H3,(H,21,22,23)/t14-/m0/s1.
What are the key properties of (7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
(7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 349.46 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-methyl-2-(3-methylanilino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41386826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).