2-methyl-3-pyrrol-1-ylquinazolin-4-one

C13H11N3O — CID 15619789

IUPAC2-methyl-3-pyrrol-1-ylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-n1cccc1
InChIInChI=1S/C13H11N3O/c1-10-14-12-7-3-2-6-11(12)13(17)16(10)15-8-4-5-9-15/h2-9H,1H3
InChIKeyDGDJYJCTAARYNJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.82
Rot. Bonds1

About 2-methyl-3-pyrrol-1-ylquinazolin-4-one

2-methyl-3-pyrrol-1-ylquinazolin-4-one (PubChem CID 15619789) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-3-pyrrol-1-ylquinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-pyrrol-1-ylquinazolin-4-one
PubChem CID15619789
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-methyl-3-pyrrol-1-ylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-n1cccc1
InChIInChI=1S/C13H11N3O/c1-10-14-12-7-3-2-6-11(12)13(17)16(10)15-8-4-5-9-15/h2-9H,1H3
InChIKeyDGDJYJCTAARYNJ-UHFFFAOYSA-N
XLogP1.82
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrol-1-ylquinazolin-4-one?
The IUPAC name of 2-methyl-3-pyrrol-1-ylquinazolin-4-one (CID 15619789) is 2-methyl-3-pyrrol-1-ylquinazolin-4-one.
What is the SMILES notation for 2-methyl-3-pyrrol-1-ylquinazolin-4-one?
The canonical SMILES for 2-methyl-3-pyrrol-1-ylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1-n1cccc1.
What is the InChIKey of 2-methyl-3-pyrrol-1-ylquinazolin-4-one?
The InChIKey is DGDJYJCTAARYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-10-14-12-7-3-2-6-11(12)13(17)16(10)15-8-4-5-9-15/h2-9H,1H3.
What are the key properties of 2-methyl-3-pyrrol-1-ylquinazolin-4-one?
2-methyl-3-pyrrol-1-ylquinazolin-4-one has a molecular weight of 225.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrol-1-ylquinazolin-4-one is sourced from PubChem (CID 15619789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).