(7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C23H23N3O3 — CID 41299879

IUPAC(7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)cc1OC
InChIInChI=1S/C23H23N3O3/c1-14-22-18(26-23(24-14)25-17-7-5-4-6-8-17)11-16(12-19(22)27)15-9-10-20(28-2)21(13-15)29-3/h4-10,13,16H,11-12H2,1-3H3,(H,24,25,26)/t16-/m0/s1
InChIKeyUVMJUPAJGDWZCJ-INIZCTEOSA-N
MW389.46 g/mol
LogP4.46
Rot. Bonds5

About (7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

(7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41299879) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41299879
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)cc1OC
InChIInChI=1S/C23H23N3O3/c1-14-22-18(26-23(24-14)25-17-7-5-4-6-8-17)11-16(12-19(22)27)15-9-10-20(28-2)21(13-15)29-3/h4-10,13,16H,11-12H2,1-3H3,(H,24,25,26)/t16-/m0/s1
InChIKeyUVMJUPAJGDWZCJ-INIZCTEOSA-N
XLogP4.46
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(7R)-2-anilino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386591
2-(4-methoxyanilino)-7-(4-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 16583996
(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
(7R)-4-methyl-7-phenyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 41386841
(7S)-7-(3,4-dimethoxyphenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41386634
(7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285739

Frequently Asked Questions

What is the IUPAC name of (7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 41299879) is (7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)cc1OC.
What is the InChIKey of (7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is UVMJUPAJGDWZCJ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-22-18(26-23(24-14)25-17-7-5-4-6-8-17)11-16(12-19(22)27)15-9-10-20(28-2)21(13-15)29-3/h4-10,13,16H,11-12H2,1-3H3,(H,24,25,26)/t16-/m0/s1.
What are the key properties of (7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
(7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 389.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41299879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).