6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one

C22H16ClN5O — CID 137438655

IUPAC6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cnc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc2c1
InChIInChI=1S/C22H16ClN5O/c1-12-7-14-8-13(9-17(23)20(14)25-11-12)15-10-16-19(29)3-5-24-22(16)26-21(15)18-4-6-28(2)27-18/h3-11H,1-2H3,(H,24,26,29)
InChIKeyIMBYOXAZYCWCLR-UHFFFAOYSA-N
MW401.86 g/mol
LogP4.50
Rot. Bonds2

About 6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one

6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438655) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is 6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137438655
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC Name6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cnc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc2c1
InChIInChI=1S/C22H16ClN5O/c1-12-7-14-8-13(9-17(23)20(14)25-11-12)15-10-16-19(29)3-5-24-22(16)26-21(15)18-4-6-28(2)27-18/h3-11H,1-2H3,(H,24,26,29)
InChIKeyIMBYOXAZYCWCLR-UHFFFAOYSA-N
XLogP4.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one (CID 137438655) is 6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one is Cc1cnc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc2c1.
What is the InChIKey of 6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is IMBYOXAZYCWCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O/c1-12-7-14-8-13(9-17(23)20(14)25-11-12)15-10-16-19(29)3-5-24-22(16)26-21(15)18-4-6-28(2)27-18/h3-11H,1-2H3,(H,24,26,29).
What are the key properties of 6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 401.86 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).