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

C22H16ClN5O — CID 137438657

IUPAC6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cnc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-n3ccc(C)n3)cc2c1
InChIInChI=1S/C22H16ClN5O/c1-12-7-15-8-14(9-18(23)20(15)25-11-12)16-10-17-19(29)3-5-24-21(17)26-22(16)28-6-4-13(2)27-28/h3-11H,1-2H3,(H,24,26,29)
InChIKeyGOBKHYRYFGDLKO-UHFFFAOYSA-N
MW401.86 g/mol
LogP4.59
Rot. Bonds2

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

6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438657) 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-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137438657
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC Name6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cnc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-n3ccc(C)n3)cc2c1
InChIInChI=1S/C22H16ClN5O/c1-12-7-15-8-14(9-18(23)20(15)25-11-12)16-10-17-19(29)3-5-24-21(17)26-22(16)28-6-4-13(2)27-28/h3-11H,1-2H3,(H,24,26,29)
InChIKeyGOBKHYRYFGDLKO-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one (CID 137438657) is 6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one is Cc1cnc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-n3ccc(C)n3)cc2c1.
What is the InChIKey of 6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is GOBKHYRYFGDLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O/c1-12-7-15-8-14(9-18(23)20(15)25-11-12)16-10-17-19(29)3-5-24-21(17)26-22(16)28-6-4-13(2)27-28/h3-11H,1-2H3,(H,24,26,29).
What are the key properties of 6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
6-(8-chloro-3-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 401.86 g/mol, XLogP of 4.59, 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-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).