N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide

C23H23N3O2 — CID 125159905

IUPACN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide
SMILESCCN1C[C@H](NC(=O)c2cccc(-c3cc(C)nc4ccccc34)c2)CC1=O
InChIInChI=1S/C23H23N3O2/c1-3-26-14-18(13-22(26)27)25-23(28)17-8-6-7-16(12-17)20-11-15(2)24-21-10-5-4-9-19(20)21/h4-12,18H,3,13-14H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyAFAJJJLRCYMEIQ-GOSISDBHSA-N
MW373.46 g/mol
LogP3.56
Rot. Bonds4

About N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide

N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide (PubChem CID 125159905) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide
PubChem CID125159905
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide
SMILESCCN1C[C@H](NC(=O)c2cccc(-c3cc(C)nc4ccccc34)c2)CC1=O
InChIInChI=1S/C23H23N3O2/c1-3-26-14-18(13-22(26)27)25-23(28)17-8-6-7-16(12-17)20-11-15(2)24-21-10-5-4-9-19(20)21/h4-12,18H,3,13-14H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyAFAJJJLRCYMEIQ-GOSISDBHSA-N
XLogP3.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 126443376
N-[(3R,4R)-4-hydroxypiperidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide;dihydrochloride
CID 154903592
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
CID 126428125
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95885487
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide
CID 110736702
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496
4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide
CID 136776065
5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
CID 56863100
N-(1-ethyl-5-oxopyrrolidin-3-yl)-2,2-diphenylacetamide
CID 136546634
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 95594104

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide?
The IUPAC name of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide (CID 125159905) is N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide.
What is the SMILES notation for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide?
The canonical SMILES for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide is CCN1C[C@H](NC(=O)c2cccc(-c3cc(C)nc4ccccc34)c2)CC1=O.
What is the InChIKey of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide?
The InChIKey is AFAJJJLRCYMEIQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-26-14-18(13-22(26)27)25-23(28)17-8-6-7-16(12-17)20-11-15(2)24-21-10-5-4-9-19(20)21/h4-12,18H,3,13-14H2,1-2H3,(H,25,28)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide?
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide is sourced from PubChem (CID 125159905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).