2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

C23H23N3O2 — CID 3427774

IUPAC2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(C2CC(=O)c3cnc(Nc4cc(C)cc(C)c4)nc3C2)cc1
InChIInChI=1S/C23H23N3O2/c1-14-8-15(2)10-18(9-14)25-23-24-13-20-21(26-23)11-17(12-22(20)27)16-4-6-19(28-3)7-5-16/h4-10,13,17H,11-12H2,1-3H3,(H,24,25,26)
InChIKeyBKTNVMWBVAWCPV-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.76
Rot. Bonds4

About 2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3427774) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3427774
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(C2CC(=O)c3cnc(Nc4cc(C)cc(C)c4)nc3C2)cc1
InChIInChI=1S/C23H23N3O2/c1-14-8-15(2)10-18(9-14)25-23-24-13-20-21(26-23)11-17(12-22(20)27)16-4-6-19(28-3)7-5-16/h4-10,13,17H,11-12H2,1-3H3,(H,24,25,26)
InChIKeyBKTNVMWBVAWCPV-UHFFFAOYSA-N
XLogP4.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 3427774) is 2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(C2CC(=O)c3cnc(Nc4cc(C)cc(C)c4)nc3C2)cc1.
What is the InChIKey of 2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is BKTNVMWBVAWCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14-8-15(2)10-18(9-14)25-23-24-13-20-21(26-23)11-17(12-22(20)27)16-4-6-19(28-3)7-5-16/h4-10,13,17H,11-12H2,1-3H3,(H,24,25,26).
What are the key properties of 2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 373.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3427774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).