2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide

C18H23N3O2 — CID 94813358

IUPAC2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
SMILESCC(C)N1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C18H23N3O2/c1-12(2)21-8-7-13(11-21)10-19-18(23)15-9-17(22)20-16-6-4-3-5-14(15)16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyJWZDZMDHHPMWFR-CYBMUJFWSA-N
MW313.40 g/mol
LogP1.99
Rot. Bonds4

About 2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide

2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide (PubChem CID 94813358) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
PubChem CID94813358
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
SMILESCC(C)N1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C18H23N3O2/c1-12(2)21-8-7-13(11-21)10-19-18(23)15-9-17(22)20-16-6-4-3-5-14(15)16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyJWZDZMDHHPMWFR-CYBMUJFWSA-N
XLogP1.99
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114371851
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-1H-quinoline-4-carboxamide
CID 134027047
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97146965

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide (CID 94813358) is 2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide is CC(C)N1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccccc23)C1.
What is the InChIKey of 2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide?
The InChIKey is JWZDZMDHHPMWFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(2)21-8-7-13(11-21)10-19-18(23)15-9-17(22)20-16-6-4-3-5-14(15)16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1.
What are the key properties of 2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide?
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 94813358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).