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

C22H16ClN5O — CID 137438651

IUPAC6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nccc(C)c3c2)n1
InChIInChI=1S/C22H16ClN5O/c1-12-3-6-24-20-15(12)9-14(10-18(20)23)16-11-17-19(29)4-7-25-21(17)26-22(16)28-8-5-13(2)27-28/h3-11H,1-2H3,(H,25,26,29)
InChIKeyFJCCPGRLPXWJRB-UHFFFAOYSA-N
MW401.86 g/mol
LogP4.59
Rot. Bonds2

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

6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438651) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is 6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137438651
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC Name6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nccc(C)c3c2)n1
InChIInChI=1S/C22H16ClN5O/c1-12-3-6-24-20-15(12)9-14(10-18(20)23)16-11-17-19(29)4-7-25-21(17)26-22(16)28-8-5-13(2)27-28/h3-11H,1-2H3,(H,25,26,29)
InChIKeyFJCCPGRLPXWJRB-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one (CID 137438651) is 6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one is Cc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nccc(C)c3c2)n1.
What is the InChIKey of 6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is FJCCPGRLPXWJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O/c1-12-3-6-24-20-15(12)9-14(10-18(20)23)16-11-17-19(29)4-7-25-21(17)26-22(16)28-8-5-13(2)27-28/h3-11H,1-2H3,(H,25,26,29).
What are the key properties of 6-(8-chloro-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
6-(8-chloro-4-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-4-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).