6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one

C22H16ClN5O — CID 137438542

IUPAC6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc(Cl)c2n1
InChIInChI=1S/C22H16ClN5O/c1-12-3-4-13-9-14(10-17(23)20(13)25-12)15-11-16-19(29)5-7-24-22(16)26-21(15)18-6-8-28(2)27-18/h3-11H,1-2H3,(H,24,26,29)
InChIKeyCSWVWTWHSDVFKC-UHFFFAOYSA-N
MW401.86 g/mol
LogP4.50
Rot. Bonds2

About 6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one

6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438542) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is 6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137438542
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC Name6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc(Cl)c2n1
InChIInChI=1S/C22H16ClN5O/c1-12-3-4-13-9-14(10-17(23)20(13)25-12)15-11-16-19(29)5-7-24-22(16)26-21(15)18-6-8-28(2)27-18/h3-11H,1-2H3,(H,24,26,29)
InChIKeyCSWVWTWHSDVFKC-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-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one (CID 137438542) is 6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one is Cc1ccc2cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc(Cl)c2n1.
What is the InChIKey of 6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is CSWVWTWHSDVFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O/c1-12-3-4-13-9-14(10-17(23)20(13)25-12)15-11-16-19(29)5-7-24-22(16)26-21(15)18-6-8-28(2)27-18/h3-11H,1-2H3,(H,24,26,29).
What are the key properties of 6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
6-(8-chloro-2-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-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).