1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one

C19H14ClN5O — CID 137431429

IUPAC1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one
SMILESCc1cccn(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1=O
InChIInChI=1S/C19H14ClN5O/c1-11-4-3-7-25(19(11)26)18-17(23-10-15(21)24-18)13-8-12-5-2-6-22-16(12)14(20)9-13/h2-10H,1H3,(H2,21,24)
InChIKeyZZNUWMHZNJBJHQ-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.39
Rot. Bonds2

About 1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one

1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one (PubChem CID 137431429) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one
PubChem CID137431429
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one
SMILESCc1cccn(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1=O
InChIInChI=1S/C19H14ClN5O/c1-11-4-3-7-25(19(11)26)18-17(23-10-15(21)24-18)13-8-12-5-2-6-22-16(12)14(20)9-13/h2-10H,1H3,(H2,21,24)
InChIKeyZZNUWMHZNJBJHQ-UHFFFAOYSA-N
XLogP3.39
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine
CID 137430161
5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine
CID 137423726
3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 160738845
6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole
CID 161236988
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
8-chloroquinolin-6-amine
CID 53435994
6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one
CID 137438012
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine
CID 137431195
6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one
CID 137438039
(1-methylpyrrol-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 137430553
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one?
The IUPAC name of 1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one (CID 137431429) is 1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one is Cc1cccn(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1=O.
What is the InChIKey of 1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one?
The InChIKey is ZZNUWMHZNJBJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-11-4-3-7-25(19(11)26)18-17(23-10-15(21)24-18)13-8-12-5-2-6-22-16(12)14(20)9-13/h2-10H,1H3,(H2,21,24).
What are the key properties of 1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one?
1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one has a molecular weight of 363.81 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one is sourced from PubChem (CID 137431429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).