(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide

C18H23N3O2 — CID 124906654

IUPAC(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCN(Cc2cc(=O)c3cc(C)ccc3[nH]2)C1
InChIInChI=1S/C18H23N3O2/c1-3-19-18(23)13-6-7-21(10-13)11-14-9-17(22)15-8-12(2)4-5-16(15)20-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyCUKCNWRQDONIRL-CYBMUJFWSA-N
MW313.40 g/mol
LogP1.79
Rot. Bonds4

About (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide

(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 124906654) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID124906654
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCN(Cc2cc(=O)c3cc(C)ccc3[nH]2)C1
InChIInChI=1S/C18H23N3O2/c1-3-19-18(23)13-6-7-21(10-13)11-14-9-17(22)15-8-12(2)4-5-16(15)20-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyCUKCNWRQDONIRL-CYBMUJFWSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one
CID 97137726
6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one
CID 72848669
2-[[(3R,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 133124192
6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72894201
6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 72879344
2-[[(4S)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97154666
2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one
CID 72936620
2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97132129
(3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 95212553
6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 72872414
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one
CID 72904106

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide (CID 124906654) is (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@@H]1CCN(Cc2cc(=O)c3cc(C)ccc3[nH]2)C1.
What is the InChIKey of (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is CUKCNWRQDONIRL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-19-18(23)13-6-7-21(10-13)11-14-9-17(22)15-8-12(2)4-5-16(15)20-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide?
(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124906654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).