4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide

C23H22N4O3 — CID 97131071

IUPAC4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2[nH]c(CN3CCC[C@]4(C3)C(=O)Nc3ccccc34)cc(=O)c2c1
InChIInChI=1S/C23H22N4O3/c24-21(29)14-6-7-18-16(10-14)20(28)11-15(25-18)12-27-9-3-8-23(13-27)17-4-1-2-5-19(17)26-22(23)30/h1-2,4-7,10-11H,3,8-9,12-13H2,(H2,24,29)(H,25,28)(H,26,30)/t23-/m1/s1
InChIKeyHGTUHCPEBNRZCJ-HSZRJFAPSA-N
MW402.45 g/mol
LogP2.11
Rot. Bonds3

About 4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide

4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide (PubChem CID 97131071) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide
PubChem CID97131071
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2[nH]c(CN3CCC[C@]4(C3)C(=O)Nc3ccccc34)cc(=O)c2c1
InChIInChI=1S/C23H22N4O3/c24-21(29)14-6-7-18-16(10-14)20(28)11-15(25-18)12-27-9-3-8-23(13-27)17-4-1-2-5-19(17)26-22(23)30/h1-2,4-7,10-11H,3,8-9,12-13H2,(H2,24,29)(H,25,28)(H,26,30)/t23-/m1/s1
InChIKeyHGTUHCPEBNRZCJ-HSZRJFAPSA-N
XLogP2.11
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 56910560
2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 97139058
4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
CID 97148081
2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 97133797
4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide
CID 91833737
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
1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 10199060
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
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
4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
CID 97153225
2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride
CID 154911255
(3R)-1'-(2-ethoxyacetyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718964

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide?
The IUPAC name of 4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide (CID 97131071) is 4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide.
What is the SMILES notation for 4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide?
The canonical SMILES for 4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide is NC(=O)c1ccc2[nH]c(CN3CCC[C@]4(C3)C(=O)Nc3ccccc34)cc(=O)c2c1.
What is the InChIKey of 4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide?
The InChIKey is HGTUHCPEBNRZCJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22N4O3/c24-21(29)14-6-7-18-16(10-14)20(28)11-15(25-18)12-27-9-3-8-23(13-27)17-4-1-2-5-19(17)26-22(23)30/h1-2,4-7,10-11H,3,8-9,12-13H2,(H2,24,29)(H,25,28)(H,26,30)/t23-/m1/s1.
What are the key properties of 4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide?
4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide is sourced from PubChem (CID 97131071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).