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

C22H21N3O2 — CID 1415093

IUPAC(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(C)cc2)CC3=O)cc1
InChIInChI=1S/C22H21N3O2/c1-14-3-5-15(6-4-14)16-11-20-19(21(26)12-16)13-23-22(25-20)24-17-7-9-18(27-2)10-8-17/h3-10,13,16H,11-12H2,1-2H3,(H,23,24,25)/t16-/m1/s1
InChIKeyDMYUCCFYLTYAHU-MRXNPFEDSA-N
MW359.43 g/mol
LogP4.45
Rot. Bonds4

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

(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 1415093) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID1415093
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(C)cc2)CC3=O)cc1
InChIInChI=1S/C22H21N3O2/c1-14-3-5-15(6-4-14)16-11-20-19(21(26)12-16)13-23-22(25-20)24-17-7-9-18(27-2)10-8-17/h3-10,13,16H,11-12H2,1-2H3,(H,23,24,25)/t16-/m1/s1
InChIKeyDMYUCCFYLTYAHU-MRXNPFEDSA-N
XLogP4.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(7S)-7-(3,4-dimethoxyphenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41386634
N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3139680
7-(3-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168355
(7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 28629638
3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 5174165
7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584098
(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
2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 3581185
(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 (7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 1415093) is (7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(C)cc2)CC3=O)cc1.
What is the InChIKey of (7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is DMYUCCFYLTYAHU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-3-5-15(6-4-14)16-11-20-19(21(26)12-16)13-23-22(25-20)24-17-7-9-18(27-2)10-8-17/h3-10,13,16H,11-12H2,1-2H3,(H,23,24,25)/t16-/m1/s1.
What are the key properties of (7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 359.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 1415093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).