N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

C17H19N3O3 — CID 110741001

IUPACN-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc2ccccc2n(CCNC(=O)C2CCC(=O)N2)c1=O
InChIInChI=1S/C17H19N3O3/c1-11-10-12-4-2-3-5-14(12)20(17(11)23)9-8-18-16(22)13-6-7-15(21)19-13/h2-5,10,13H,6-9H2,1H3,(H,18,22)(H,19,21)
InChIKeySSIPNKCYJOZTEW-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.70
Rot. Bonds4

About N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110741001) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110741001
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc2ccccc2n(CCNC(=O)C2CCC(=O)N2)c1=O
InChIInChI=1S/C17H19N3O3/c1-11-10-12-4-2-3-5-14(12)20(17(11)23)9-8-18-16(22)13-6-7-15(21)19-13/h2-5,10,13H,6-9H2,1H3,(H,18,22)(H,19,21)
InChIKeySSIPNKCYJOZTEW-UHFFFAOYSA-N
XLogP0.70
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741002
N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 45172641
3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one
CID 110680227
2-(3-fluorophenyl)-N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]acetamide
CID 110707094
N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680262
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110741005
1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one
CID 110680239
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680233
N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911026
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
(2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95159054

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 110741001) is N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc2ccccc2n(CCNC(=O)C2CCC(=O)N2)c1=O.
What is the InChIKey of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SSIPNKCYJOZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-10-12-4-2-3-5-14(12)20(17(11)23)9-8-18-16(22)13-6-7-15(21)19-13/h2-5,10,13H,6-9H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110741001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).