4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide

C22H23N3O2 — CID 97148081

IUPAC4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2[nH]c(CN3CCC[C@@H](c4ccccc4)C3)cc(=O)c2c1
InChIInChI=1S/C22H23N3O2/c23-22(27)16-8-9-20-19(11-16)21(26)12-18(24-20)14-25-10-4-7-17(13-25)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,17H,4,7,10,13-14H2,(H2,23,27)(H,24,26)/t17-/m1/s1
InChIKeyJIEXCQHFQWWRFS-QGZVFWFLSA-N
MW361.45 g/mol
LogP3.01
Rot. Bonds4

About 4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide

4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide (PubChem CID 97148081) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
PubChem CID97148081
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2[nH]c(CN3CCC[C@@H](c4ccccc4)C3)cc(=O)c2c1
InChIInChI=1S/C22H23N3O2/c23-22(27)16-8-9-20-19(11-16)21(26)12-18(24-20)14-25-10-4-7-17(13-25)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,17H,4,7,10,13-14H2,(H2,23,27)(H,24,26)/t17-/m1/s1
InChIKeyJIEXCQHFQWWRFS-QGZVFWFLSA-N
XLogP3.01
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide
CID 97131071
2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 97133797
2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide;dihydrochloride
CID 154925023
4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide
CID 91833737
4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
CID 97153225
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-6-fluoro-1H-quinolin-4-one
CID 156604880
methyl (3aS,6aS)-5-[(6-carbamoyl-4-oxo-1H-quinolin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 163315875
1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide
CID 135090544
1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide
CID 84612878
2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
CID 97445389
3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 155258172
6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 59730169

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide?
The IUPAC name of 4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide (CID 97148081) is 4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide.
What is the SMILES notation for 4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide?
The canonical SMILES for 4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide is NC(=O)c1ccc2[nH]c(CN3CCC[C@@H](c4ccccc4)C3)cc(=O)c2c1.
What is the InChIKey of 4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide?
The InChIKey is JIEXCQHFQWWRFS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-22(27)16-8-9-20-19(11-16)21(26)12-18(24-20)14-25-10-4-7-17(13-25)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,17H,4,7,10,13-14H2,(H2,23,27)(H,24,26)/t17-/m1/s1.
What are the key properties of 4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide?
4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide is sourced from PubChem (CID 97148081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).