2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one

C26H25N5O2 — CID 172603449

IUPAC2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one
SMILESCc1cnc2c(-c3ccc4c(c3)CN(C)C4=O)nc3cc(C(=O)N4CCCCC4)ccc3n12
InChIInChI=1S/C26H25N5O2/c1-16-14-27-24-23(17-6-8-20-19(12-17)15-29(2)26(20)33)28-21-13-18(7-9-22(21)31(16)24)25(32)30-10-4-3-5-11-30/h6-9,12-14H,3-5,10-11,15H2,1-2H3
InChIKeyDCBNRNNSWKQGGX-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.07
Rot. Bonds2

About 2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one

2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one (PubChem CID 172603449) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one
PubChem CID172603449
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one
SMILESCc1cnc2c(-c3ccc4c(c3)CN(C)C4=O)nc3cc(C(=O)N4CCCCC4)ccc3n12
InChIInChI=1S/C26H25N5O2/c1-16-14-27-24-23(17-6-8-20-19(12-17)15-29(2)26(20)33)28-21-13-18(7-9-22(21)31(16)24)25(32)30-10-4-3-5-11-30/h6-9,12-14H,3-5,10-11,15H2,1-2H3
InChIKeyDCBNRNNSWKQGGX-UHFFFAOYSA-N
XLogP4.07
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one with MolForge

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Related Compounds

(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one
CID 154667398
3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 154667156
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
[4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone
CID 171697921
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 159555657
azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469131
1-[5-(pyrrolidine-1-carbonyl)benzotriazol-1-yl]ethanone
CID 177135036
6-methyl-3-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 167390377
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one?
The IUPAC name of 2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one (CID 172603449) is 2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one is Cc1cnc2c(-c3ccc4c(c3)CN(C)C4=O)nc3cc(C(=O)N4CCCCC4)ccc3n12.
What is the InChIKey of 2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one?
The InChIKey is DCBNRNNSWKQGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-16-14-27-24-23(17-6-8-20-19(12-17)15-29(2)26(20)33)28-21-13-18(7-9-22(21)31(16)24)25(32)30-10-4-3-5-11-30/h6-9,12-14H,3-5,10-11,15H2,1-2H3.
What are the key properties of 2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one?
2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one has a molecular weight of 439.52 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 172603449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).