2-(4-methoxyanilino)-3H-quinazolin-4-one

C15H13N3O2 — CID 135444387

IUPAC2-(4-methoxyanilino)-3H-quinazolin-4-one
SMILESCOc1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H13N3O2/c1-20-11-8-6-10(7-9-11)16-15-17-13-5-3-2-4-12(13)14(19)18-15/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyRUQRTWVOLCHSEV-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.68
Rot. Bonds3

About 2-(4-methoxyanilino)-3H-quinazolin-4-one

2-(4-methoxyanilino)-3H-quinazolin-4-one (PubChem CID 135444387) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)-3H-quinazolin-4-one
PubChem CID135444387
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(4-methoxyanilino)-3H-quinazolin-4-one
SMILESCOc1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H13N3O2/c1-20-11-8-6-10(7-9-11)16-15-17-13-5-3-2-4-12(13)14(19)18-15/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyRUQRTWVOLCHSEV-UHFFFAOYSA-N
XLogP2.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-methoxyanilino)-3H-quinazolin-4-one (CID 135444387) is 2-(4-methoxyanilino)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyanilino)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-methoxyanilino)-3H-quinazolin-4-one is COc1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-3H-quinazolin-4-one?
The InChIKey is RUQRTWVOLCHSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-11-8-6-10(7-9-11)16-15-17-13-5-3-2-4-12(13)14(19)18-15/h2-9H,1H3,(H2,16,17,18,19).
What are the key properties of 2-(4-methoxyanilino)-3H-quinazolin-4-one?
2-(4-methoxyanilino)-3H-quinazolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-3H-quinazolin-4-one is sourced from PubChem (CID 135444387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).