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

C21H14ClN5O — CID 137438255

IUPAC6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C21H14ClN5O/c1-12-5-8-27(26-12)21-15(11-16-18(28)4-7-24-20(16)25-21)14-9-13-3-2-6-23-19(13)17(22)10-14/h2-11H,1H3,(H,24,25,28)
InChIKeyZJFSSKIUVISFCT-UHFFFAOYSA-N
MW387.83 g/mol
LogP4.29
Rot. Bonds2

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

6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438255) has the molecular formula C21H14ClN5O and a molecular weight of 387.83 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137438255
Molecular FormulaC21H14ClN5O
Molecular Weight387.83 g/mol
Exact Mass387.09
IUPAC Name6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C21H14ClN5O/c1-12-5-8-27(26-12)21-15(11-16-18(28)4-7-24-20(16)25-21)14-9-13-3-2-6-23-19(13)17(22)10-14/h2-11H,1H3,(H,24,25,28)
InChIKeyZJFSSKIUVISFCT-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one (CID 137438255) is 6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one is Cc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is ZJFSSKIUVISFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5O/c1-12-5-8-27(26-12)21-15(11-16-18(28)4-7-24-20(16)25-21)14-9-13-3-2-6-23-19(13)17(22)10-14/h2-11H,1H3,(H,24,25,28).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 387.83 g/mol, XLogP of 4.29, 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-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).