N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide

C22H25N3O2 — CID 113190524

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC(=O)N(c2cccc3cccnc23)C1
InChIInChI=1S/C22H25N3O2/c26-20-14-18(22(27)24-13-11-16-6-2-1-3-7-16)15-25(20)19-10-4-8-17-9-5-12-23-21(17)19/h4-6,8-10,12,18H,1-3,7,11,13-15H2,(H,24,27)
InChIKeyRJSDSZNSMXRDSK-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 113190524) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID113190524
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC(=O)N(c2cccc3cccnc23)C1
InChIInChI=1S/C22H25N3O2/c26-20-14-18(22(27)24-13-11-16-6-2-1-3-7-16)15-25(20)19-10-4-8-17-9-5-12-23-21(17)19/h4-6,8-10,12,18H,1-3,7,11,13-15H2,(H,24,27)
InChIKeyRJSDSZNSMXRDSK-UHFFFAOYSA-N
XLogP3.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46684610
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188452
N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5309699
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549662
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090579
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188623
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42943937
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
N-(3,5-dimethylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190568
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321683
N,1-bis[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182291
N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190625

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide (CID 113190524) is N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CC(=O)N(c2cccc3cccnc23)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is RJSDSZNSMXRDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-20-14-18(22(27)24-13-11-16-6-2-1-3-7-16)15-25(20)19-10-4-8-17-9-5-12-23-21(17)19/h4-6,8-10,12,18H,1-3,7,11,13-15H2,(H,24,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113190524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).