2-(1H-pyrrol-2-yl)-1H-quinolin-4-one

C13H10N2O — CID 71480896

IUPAC2-(1H-pyrrol-2-yl)-1H-quinolin-4-one
SMILESO=c1cc(-c2ccc[nH]2)[nH]c2ccccc12
InChIInChI=1S/C13H10N2O/c16-13-8-12(11-6-3-7-14-11)15-10-5-2-1-4-9(10)13/h1-8,14H,(H,15,16)
InChIKeyFXVAPTYMWWKGAK-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.52
Rot. Bonds1

About 2-(1H-pyrrol-2-yl)-1H-quinolin-4-one

2-(1H-pyrrol-2-yl)-1H-quinolin-4-one (PubChem CID 71480896) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)-1H-quinolin-4-one
PubChem CID71480896
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-(1H-pyrrol-2-yl)-1H-quinolin-4-one
SMILESO=c1cc(-c2ccc[nH]2)[nH]c2ccccc12
InChIInChI=1S/C13H10N2O/c16-13-8-12(11-6-3-7-14-11)15-10-5-2-1-4-9(10)13/h1-8,14H,(H,15,16)
InChIKeyFXVAPTYMWWKGAK-UHFFFAOYSA-N
XLogP2.52
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)-1H-quinolin-4-one?
The IUPAC name of 2-(1H-pyrrol-2-yl)-1H-quinolin-4-one (CID 71480896) is 2-(1H-pyrrol-2-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-(1H-pyrrol-2-yl)-1H-quinolin-4-one is O=c1cc(-c2ccc[nH]2)[nH]c2ccccc12.
What is the InChIKey of 2-(1H-pyrrol-2-yl)-1H-quinolin-4-one?
The InChIKey is FXVAPTYMWWKGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-13-8-12(11-6-3-7-14-11)15-10-5-2-1-4-9(10)13/h1-8,14H,(H,15,16).
What are the key properties of 2-(1H-pyrrol-2-yl)-1H-quinolin-4-one?
2-(1H-pyrrol-2-yl)-1H-quinolin-4-one has a molecular weight of 210.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)-1H-quinolin-4-one is sourced from PubChem (CID 71480896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).