(2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone

C25H22N4O — CID 135300433

IUPAC(2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3ccccc3)c(-c3ccncc3)nc2c1)N1CCCCC1
InChIInChI=1S/C25H22N4O/c30-25(29-15-5-2-6-16-29)20-9-10-21-22(17-20)28-24(19-11-13-26-14-12-19)23(27-21)18-7-3-1-4-8-18/h1,3-4,7-14,17H,2,5-6,15-16H2
InChIKeyZQRNLBGHJFNDLS-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.98
Rot. Bonds3

About (2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone

(2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone (PubChem CID 135300433) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is (2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
PubChem CID135300433
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name(2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3ccccc3)c(-c3ccncc3)nc2c1)N1CCCCC1
InChIInChI=1S/C25H22N4O/c30-25(29-15-5-2-6-16-29)20-9-10-21-22(17-20)28-24(19-11-13-26-14-12-19)23(27-21)18-7-3-1-4-8-18/h1,3-4,7-14,17H,2,5-6,15-16H2
InChIKeyZQRNLBGHJFNDLS-UHFFFAOYSA-N
XLogP4.98
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 135290855
5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid
CID 57410871
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 146476155
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate
CID 4171467
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 31868528
(3-methylphenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 38462791

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone (CID 135300433) is (2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone is O=C(c1ccc2nc(-c3ccccc3)c(-c3ccncc3)nc2c1)N1CCCCC1.
What is the InChIKey of (2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is ZQRNLBGHJFNDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-25(29-15-5-2-6-16-29)20-9-10-21-22(17-20)28-24(19-11-13-26-14-12-19)23(27-21)18-7-3-1-4-8-18/h1,3-4,7-14,17H,2,5-6,15-16H2.
What are the key properties of (2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
(2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 394.48 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 135300433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).