1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one

C19H18N4O3 — CID 9475733

IUPAC1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one
SMILESO=C(Cn1ncc(=O)c2ccccc21)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H18N4O3/c24-17-11-21-23(16-6-2-1-5-14(16)17)12-18(25)13-9-15(20-10-13)19(26)22-7-3-4-8-22/h1-2,5-6,9-11,20H,3-4,7-8,12H2
InChIKeyGBKPWIHPOXKPIF-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.84
Rot. Bonds4

About 1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one

1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one (PubChem CID 9475733) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one
PubChem CID9475733
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one
SMILESO=C(Cn1ncc(=O)c2ccccc21)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H18N4O3/c24-17-11-21-23(16-6-2-1-5-14(16)17)12-18(25)13-9-15(20-10-13)19(26)22-7-3-4-8-22/h1-2,5-6,9-11,20H,3-4,7-8,12H2
InChIKeyGBKPWIHPOXKPIF-UHFFFAOYSA-N
XLogP1.84
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxocinnolin-1-yl)acetate
CID 7131157
2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 33214961
benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium
CID 9445986
5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-phenylimidazolidine-2,4-dione
CID 42933668
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 31034299
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 40739487
6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one
CID 55874273
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17443156
1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 55956458
2-(4-phenylpiperazin-1-ium-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 9250313
2-(4-oxocinnolin-1-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 134013002
5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 17398834

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one?
The IUPAC name of 1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one (CID 9475733) is 1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one.
What is the SMILES notation for 1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one?
The canonical SMILES for 1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one is O=C(Cn1ncc(=O)c2ccccc21)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of 1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one?
The InChIKey is GBKPWIHPOXKPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-17-11-21-23(16-6-2-1-5-14(16)17)12-18(25)13-9-15(20-10-13)19(26)22-7-3-4-8-22/h1-2,5-6,9-11,20H,3-4,7-8,12H2.
What are the key properties of 1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one?
1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one has a molecular weight of 350.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]cinnolin-4-one is sourced from PubChem (CID 9475733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).