2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one

C29H21ClN6O — CID 154656863

IUPAC2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCC(Nc1cc(=O)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12)c1ccccn1
InChIInChI=1S/C29H21ClN6O/c1-17(22-11-5-6-12-31-22)33-23-16-24(37)34-29-28(23)35-27(26(36-29)18-8-3-2-4-9-18)20-14-19-10-7-13-32-25(19)21(30)15-20/h2-17H,1H3,(H2,33,34,36,37)
InChIKeyHQALTKRBICAKFS-UHFFFAOYSA-N
MW504.98 g/mol
LogP6.42
Rot. Bonds5

About 2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one

2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154656863) has the molecular formula C29H21ClN6O and a molecular weight of 504.98 g/mol. Its IUPAC name is 2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154656863
Molecular FormulaC29H21ClN6O
Molecular Weight504.98 g/mol
Exact Mass504.15
IUPAC Name2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCC(Nc1cc(=O)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12)c1ccccn1
InChIInChI=1S/C29H21ClN6O/c1-17(22-11-5-6-12-31-22)33-23-16-24(37)34-29-28(23)35-27(26(36-29)18-8-3-2-4-9-18)20-14-19-10-7-13-32-25(19)21(30)15-20/h2-17H,1H3,(H2,33,34,36,37)
InChIKeyHQALTKRBICAKFS-UHFFFAOYSA-N
XLogP6.42
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.98
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one with MolForge

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Related Compounds

8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
2-(8-chloroquinolin-6-yl)-6-ethenyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657636
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656384
2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656926
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
6-(8-chloroquinolin-6-yl)-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438467
6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438503
3-amino-6-(8-chloroquinolin-6-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 154604570
7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656614
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)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one (CID 154656863) is 2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one is CC(Nc1cc(=O)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12)c1ccccn1.
What is the InChIKey of 2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is HQALTKRBICAKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21ClN6O/c1-17(22-11-5-6-12-31-22)33-23-16-24(37)34-29-28(23)35-27(26(36-29)18-8-3-2-4-9-18)20-14-19-10-7-13-32-25(19)21(30)15-20/h2-17H,1H3,(H2,33,34,36,37).
What are the key properties of 2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one?
2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 504.98 g/mol, XLogP of 6.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154656863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).