2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

C28H23ClN4O — CID 154656384

IUPAC2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1cc(C2CCCCC2)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12
InChIInChI=1S/C28H23ClN4O/c29-21-15-20(14-19-12-7-13-30-24(19)21)26-25(18-10-5-2-6-11-18)33-28-27(32-26)23(34)16-22(31-28)17-8-3-1-4-9-17/h2,5-7,10-17H,1,3-4,8-9H2,(H,31,33,34)
InChIKeyWHPXLYFUSCMIJY-UHFFFAOYSA-N
MW466.97 g/mol
LogP6.90
Rot. Bonds3

About 2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656384) has the molecular formula C28H23ClN4O and a molecular weight of 466.97 g/mol. Its IUPAC name is 2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656384
Molecular FormulaC28H23ClN4O
Molecular Weight466.97 g/mol
Exact Mass466.16
IUPAC Name2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1cc(C2CCCCC2)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12
InChIInChI=1S/C28H23ClN4O/c29-21-15-20(14-19-12-7-13-30-24(19)21)26-25(18-10-5-2-6-11-18)33-28-27(32-26)23(34)16-22(31-28)17-8-3-1-4-9-17/h2,5-7,10-17H,1,3-4,8-9H2,(H,31,33,34)
InChIKeyWHPXLYFUSCMIJY-UHFFFAOYSA-N
XLogP6.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one with MolForge

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Related Compounds

2-(8-chloroquinolin-6-yl)-6-ethenyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657636
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
5-(8-chloroquinolin-6-yl)-3-cyclohexyl-6-phenylpyrazin-2-amine
CID 137431688
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
6-cyclopropyl-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657298
2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656863
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431024
6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438658

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656384) is 2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is O=c1cc(C2CCCCC2)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12.
What is the InChIKey of 2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is WHPXLYFUSCMIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O/c29-21-15-20(14-19-12-7-13-30-24(19)21)26-25(18-10-5-2-6-11-18)33-28-27(32-26)23(34)16-22(31-28)17-8-3-1-4-9-17/h2,5-7,10-17H,1,3-4,8-9H2,(H,31,33,34).
What are the key properties of 2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 466.97 g/mol, XLogP of 6.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).