2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one

C15H15N3O — CID 174456036

IUPAC2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one
SMILESCCn1ccc(-c2nc3ccccc3c(=O)n2C)c1
InChIInChI=1S/C15H15N3O/c1-3-18-9-8-11(10-18)14-16-13-7-5-4-6-12(13)15(19)17(14)2/h4-10H,3H2,1-2H3
InChIKeyVUJSIXCYKPZZLC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.42
Rot. Bonds2

About 2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one

2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one (PubChem CID 174456036) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one
PubChem CID174456036
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one
SMILESCCn1ccc(-c2nc3ccccc3c(=O)n2C)c1
InChIInChI=1S/C15H15N3O/c1-3-18-9-8-11(10-18)14-16-13-7-5-4-6-12(13)15(19)17(14)2/h4-10H,3H2,1-2H3
InChIKeyVUJSIXCYKPZZLC-UHFFFAOYSA-N
XLogP2.42
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one?
The IUPAC name of 2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one (CID 174456036) is 2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one.
What is the SMILES notation for 2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one?
The canonical SMILES for 2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one is CCn1ccc(-c2nc3ccccc3c(=O)n2C)c1.
What is the InChIKey of 2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one?
The InChIKey is VUJSIXCYKPZZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-18-9-8-11(10-18)14-16-13-7-5-4-6-12(13)15(19)17(14)2/h4-10H,3H2,1-2H3.
What are the key properties of 2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one?
2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one has a molecular weight of 253.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one is sourced from PubChem (CID 174456036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).