(3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone

C20H18ClN3O — CID 135290855

IUPAC(3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3ccccc3)c(Cl)nc2c1)N1CCCCC1
InChIInChI=1S/C20H18ClN3O/c21-19-18(14-7-3-1-4-8-14)22-16-10-9-15(13-17(16)23-19)20(25)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyDEJSAIVGLMGKOV-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.58
Rot. Bonds2

About (3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone

(3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone (PubChem CID 135290855) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is (3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone
PubChem CID135290855
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name(3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3ccccc3)c(Cl)nc2c1)N1CCCCC1
InChIInChI=1S/C20H18ClN3O/c21-19-18(14-7-3-1-4-8-14)22-16-10-9-15(13-17(16)23-19)20(25)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyDEJSAIVGLMGKOV-UHFFFAOYSA-N
XLogP4.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 135300433
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
(4-chlorophenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093514
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid
CID 53224480
[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone
CID 46318969
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108547358

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone (CID 135290855) is (3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone is O=C(c1ccc2nc(-c3ccccc3)c(Cl)nc2c1)N1CCCCC1.
What is the InChIKey of (3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is DEJSAIVGLMGKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-19-18(14-7-3-1-4-8-14)22-16-10-9-15(13-17(16)23-19)20(25)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2.
What are the key properties of (3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
(3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 351.84 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 135290855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).