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

C23H23N3O2 — CID 3601490

IUPAC2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCc1ccc(Nc2ncc3c(n2)CC(c2ccc(OC)cc2)CC3=O)cc1
InChIInChI=1S/C23H23N3O2/c1-3-15-4-8-18(9-5-15)25-23-24-14-20-21(26-23)12-17(13-22(20)27)16-6-10-19(28-2)11-7-16/h4-11,14,17H,3,12-13H2,1-2H3,(H,24,25,26)
InChIKeyVOEOQPPFSVGMBP-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.70
Rot. Bonds5

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

2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3601490) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3601490
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCc1ccc(Nc2ncc3c(n2)CC(c2ccc(OC)cc2)CC3=O)cc1
InChIInChI=1S/C23H23N3O2/c1-3-15-4-8-18(9-5-15)25-23-24-14-20-21(26-23)12-17(13-22(20)27)16-6-10-19(28-2)11-7-16/h4-11,14,17H,3,12-13H2,1-2H3,(H,24,25,26)
InChIKeyVOEOQPPFSVGMBP-UHFFFAOYSA-N
XLogP4.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 3601490) is 2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is CCc1ccc(Nc2ncc3c(n2)CC(c2ccc(OC)cc2)CC3=O)cc1.
What is the InChIKey of 2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is VOEOQPPFSVGMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-15-4-8-18(9-5-15)25-23-24-14-20-21(26-23)12-17(13-22(20)27)16-6-10-19(28-2)11-7-16/h4-11,14,17H,3,12-13H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 373.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3601490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).