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

C23H23N3O4 — CID 28629638

IUPAC(7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)cc1
InChIInChI=1S/C23H23N3O4/c1-28-16-6-4-15(5-7-16)25-23-24-13-19-20(26-23)10-14(11-21(19)27)18-9-8-17(29-2)12-22(18)30-3/h4-9,12-14H,10-11H2,1-3H3,(H,24,25,26)/t14-/m1/s1
InChIKeySAEZEVJPVAEBTR-CQSZACIVSA-N
MW405.45 g/mol
LogP4.16
Rot. Bonds6

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

(7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 28629638) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID28629638
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)cc1
InChIInChI=1S/C23H23N3O4/c1-28-16-6-4-15(5-7-16)25-23-24-13-19-20(26-23)10-14(11-21(19)27)18-9-8-17(29-2)12-22(18)30-3/h4-9,12-14H,10-11H2,1-3H3,(H,24,25,26)/t14-/m1/s1
InChIKeySAEZEVJPVAEBTR-CQSZACIVSA-N
XLogP4.16
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 28629638) is (7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)cc1.
What is the InChIKey of (7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is SAEZEVJPVAEBTR-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-28-16-6-4-15(5-7-16)25-23-24-13-19-20(26-23)10-14(11-21(19)27)18-9-8-17(29-2)12-22(18)30-3/h4-9,12-14H,10-11H2,1-3H3,(H,24,25,26)/t14-/m1/s1.
What are the key properties of (7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 405.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 28629638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).