6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one

C21H14ClN5O — CID 137438039

IUPAC6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one
SMILESCn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C21H14ClN5O/c1-27-8-6-17(26-27)20-15(10-13-4-5-18(28)24-21(13)25-20)14-9-12-3-2-7-23-19(12)16(22)11-14/h2-11H,1H3,(H,24,25,28)
InChIKeyACLGQBAODUMNAQ-UHFFFAOYSA-N
MW387.83 g/mol
LogP4.19
Rot. Bonds2

About 6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one

6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one (PubChem CID 137438039) has the molecular formula C21H14ClN5O and a molecular weight of 387.83 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one
PubChem CID137438039
Molecular FormulaC21H14ClN5O
Molecular Weight387.83 g/mol
Exact Mass387.09
IUPAC Name6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one
SMILESCn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C21H14ClN5O/c1-27-8-6-17(26-27)20-15(10-13-4-5-18(28)24-21(13)25-20)14-9-12-3-2-7-23-19(12)16(22)11-14/h2-11H,1H3,(H,24,25,28)
InChIKeyACLGQBAODUMNAQ-UHFFFAOYSA-N
XLogP4.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea
CID 137430386
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430748
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine
CID 137431300
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide
CID 137430754
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
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430751
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
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

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one (CID 137438039) is 6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one is Cn1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one?
The InChIKey is ACLGQBAODUMNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5O/c1-27-8-6-17(26-27)20-15(10-13-4-5-18(28)24-21(13)25-20)14-9-12-3-2-7-23-19(12)16(22)11-14/h2-11H,1H3,(H,24,25,28).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one?
6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one has a molecular weight of 387.83 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).