(7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one

C23H21N3O — CID 41285445

IUPAC(7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)cc1
InChIInChI=1S/C23H21N3O/c1-16-7-11-19(12-8-16)25-23-24-15-20-21(26-23)13-18(14-22(20)27)10-9-17-5-3-2-4-6-17/h2-12,15,18H,13-14H2,1H3,(H,24,25,26)/b10-9+/t18-/m0/s1
InChIKeyLFMCUXTZFLPIGS-BBVFFXRHSA-N
MW355.44 g/mol
LogP4.99
Rot. Bonds4

About (7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one

(7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41285445) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is (7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41285445
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name(7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)cc1
InChIInChI=1S/C23H21N3O/c1-16-7-11-19(12-8-16)25-23-24-15-20-21(26-23)13-18(14-22(20)27)10-9-17-5-3-2-4-6-17/h2-12,15,18H,13-14H2,1H3,(H,24,25,26)/b10-9+/t18-/m0/s1
InChIKeyLFMCUXTZFLPIGS-BBVFFXRHSA-N
XLogP4.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584098
(7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285448
(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1389056
7-(3-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168355
(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1415093
(7S)-2-[(2R)-2-methylpiperidin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 29109580
2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 17190243
(7S)-7-(3,4-dimethoxyphenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41386634
(7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 40814781
7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 57388977
7-methyl-2-[(5-methyl-2-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 57389240
(7R)-2-anilino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386591

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one (CID 41285445) is (7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(Nc2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)cc1.
What is the InChIKey of (7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LFMCUXTZFLPIGS-BBVFFXRHSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-7-11-19(12-8-16)25-23-24-15-20-21(26-23)13-18(14-22(20)27)10-9-17-5-3-2-4-6-17/h2-12,15,18H,13-14H2,1H3,(H,24,25,26)/b10-9+/t18-/m0/s1.
What are the key properties of (7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
(7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 355.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(4-methylanilino)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41285445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).