3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one

C29H27N5O3 — CID 5018476

IUPAC3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one
SMILESCc1ccc(C(=O)N2Cc3ccccc3C2)c(C2CCN(C(=O)c3nc4ccccc4[nH]c3=O)CC2)n1
InChIInChI=1S/C29H27N5O3/c1-18-10-11-22(28(36)34-16-20-6-2-3-7-21(20)17-34)25(30-18)19-12-14-33(15-13-19)29(37)26-27(35)32-24-9-5-4-8-23(24)31-26/h2-11,19H,12-17H2,1H3,(H,32,35)
InChIKeyQZJVYMBQCWRJMF-UHFFFAOYSA-N
MW493.57 g/mol
LogP3.80
Rot. Bonds3

About 3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one

3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one (PubChem CID 5018476) has the molecular formula C29H27N5O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is 3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one
PubChem CID5018476
Molecular FormulaC29H27N5O3
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC Name3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one
SMILESCc1ccc(C(=O)N2Cc3ccccc3C2)c(C2CCN(C(=O)c3nc4ccccc4[nH]c3=O)CC2)n1
InChIInChI=1S/C29H27N5O3/c1-18-10-11-22(28(36)34-16-20-6-2-3-7-21(20)17-34)25(30-18)19-12-14-33(15-13-19)29(37)26-27(35)32-24-9-5-4-8-23(24)31-26/h2-11,19H,12-17H2,1H3,(H,32,35)
InChIKeyQZJVYMBQCWRJMF-UHFFFAOYSA-N
XLogP3.80
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]-N-ethylpiperidine-1-carboxamide
CID 46044922
1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 3818216
1,3-dihydroisoindol-2-yl-[2-[1-(1,3-dimethyl-4-nitropyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
CID 3803159
4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 5196870
4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide
CID 3821130
3-(1,3-benzodioxol-5-yl)-1-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 3254231
3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
CID 57329512
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 33116238
[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46068543
N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide
CID 91791993
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-pyridinyl]methanone
CID 42868305
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one (CID 5018476) is 3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one is Cc1ccc(C(=O)N2Cc3ccccc3C2)c(C2CCN(C(=O)c3nc4ccccc4[nH]c3=O)CC2)n1.
What is the InChIKey of 3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one?
The InChIKey is QZJVYMBQCWRJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3/c1-18-10-11-22(28(36)34-16-20-6-2-3-7-21(20)17-34)25(30-18)19-12-14-33(15-13-19)29(37)26-27(35)32-24-9-5-4-8-23(24)31-26/h2-11,19H,12-17H2,1H3,(H,32,35).
What are the key properties of 3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one?
3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one has a molecular weight of 493.57 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 5018476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).