N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide

C18H23N3O2 — CID 51949127

IUPACN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESC[C@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2/c1-13-6-4-5-10-21(13)11-9-19-18(23)15-12-17(22)20-16-8-3-2-7-14(15)16/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,19,23)(H,20,22)/t13-/m0/s1
InChIKeyLQGUHJWTJQASFV-ZDUSSCGKSA-N
MW313.40 g/mol
LogP2.13
Rot. Bonds4

About N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 51949127) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID51949127
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESC[C@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2/c1-13-6-4-5-10-21(13)11-9-19-18(23)15-12-17(22)20-16-8-3-2-7-14(15)16/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,19,23)(H,20,22)/t13-/m0/s1
InChIKeyLQGUHJWTJQASFV-ZDUSSCGKSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902
2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
CID 97445389
N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97116888
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 94115261
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide
CID 16800787
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 56601767
N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72877016
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 94850221
6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide
CID 15994470

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 51949127) is N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide is C[C@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is LQGUHJWTJQASFV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-6-4-5-10-21(13)11-9-19-18(23)15-12-17(22)20-16-8-3-2-7-14(15)16/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,19,23)(H,20,22)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 51949127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).