(3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide

C18H20N4O3 — CID 125145796

IUPAC(3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCC(=O)Nc2cccc3cccnc23)CC1=O
InChIInChI=1S/C18H20N4O3/c1-2-22-11-13(9-16(22)24)18(25)20-10-15(23)21-14-7-3-5-12-6-4-8-19-17(12)14/h3-8,13H,2,9-11H2,1H3,(H,20,25)(H,21,23)/t13-/m0/s1
InChIKeyLSJLUKJPXGXYRE-ZDUSSCGKSA-N
MW340.38 g/mol
LogP1.16
Rot. Bonds5

About (3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide

(3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 125145796) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID125145796
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCC(=O)Nc2cccc3cccnc23)CC1=O
InChIInChI=1S/C18H20N4O3/c1-2-22-11-13(9-16(22)24)18(25)20-10-15(23)21-14-7-3-5-12-6-4-8-19-17(12)14/h3-8,13H,2,9-11H2,1H3,(H,20,25)(H,21,23)/t13-/m0/s1
InChIKeyLSJLUKJPXGXYRE-ZDUSSCGKSA-N
XLogP1.16
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-oxo-1-(pyridin-2-ylmethyl)-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 94081377
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55683678
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113192052
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 9107582
4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride
CID 120565209
(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 97112567
(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide
CID 120799520
(3R)-1-[(4-methylphenyl)methyl]-5-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)pyrrolidine-3-carbohydrazide
CID 41312507
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide
CID 52842232
(3R)-1-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39568663

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide (CID 125145796) is (3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide is CCN1C[C@@H](C(=O)NCC(=O)Nc2cccc3cccnc23)CC1=O.
What is the InChIKey of (3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is LSJLUKJPXGXYRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-2-22-11-13(9-16(22)24)18(25)20-10-15(23)21-14-7-3-5-12-6-4-8-19-17(12)14/h3-8,13H,2,9-11H2,1H3,(H,20,25)(H,21,23)/t13-/m0/s1.
What are the key properties of (3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide?
(3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 125145796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).