1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one

C20H18ClN3O2 — CID 87028056

IUPAC1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one
SMILESO=C(Cn1ncc(=O)c2ccccc21)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O2/c21-16-8-3-1-6-14(16)17-10-5-11-23(17)20(26)13-24-18-9-4-2-7-15(18)19(25)12-22-24/h1-4,6-9,12,17H,5,10-11,13H2
InChIKeyFNZUMNNSWSFBFA-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.41
Rot. Bonds3

About 1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one

1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one (PubChem CID 87028056) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one
PubChem CID87028056
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one
SMILESO=C(Cn1ncc(=O)c2ccccc21)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O2/c21-16-8-3-1-6-14(16)17-10-5-11-23(17)20(26)13-24-18-9-4-2-7-15(18)19(25)12-22-24/h1-4,6-9,12,17H,5,10-11,13H2
InChIKeyFNZUMNNSWSFBFA-UHFFFAOYSA-N
XLogP3.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one
CID 17495969
N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide
CID 55669948
1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one
CID 51926193
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
1-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 9489683
1-[3-[(2S)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 94637302
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
CID 60947722
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 55956458

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one?
The IUPAC name of 1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one (CID 87028056) is 1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one.
What is the SMILES notation for 1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one?
The canonical SMILES for 1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one is O=C(Cn1ncc(=O)c2ccccc21)N1CCCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one?
The InChIKey is FNZUMNNSWSFBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-8-3-1-6-14(16)17-10-5-11-23(17)20(26)13-24-18-9-4-2-7-15(18)19(25)12-22-24/h1-4,6-9,12,17H,5,10-11,13H2.
What are the key properties of 1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one?
1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one has a molecular weight of 367.84 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one is sourced from PubChem (CID 87028056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).