7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one

C20H16ClN5O — CID 123527485

IUPAC7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one
SMILESCn1ncc2cc(-c3cc4c(cc3Cl)NCC(n3cccn3)C4=O)ccc21
InChIInChI=1S/C20H16ClN5O/c1-25-18-4-3-12(7-13(18)10-24-25)14-8-15-17(9-16(14)21)22-11-19(20(15)27)26-6-2-5-23-26/h2-10,19,22H,11H2,1H3
InChIKeyUEHYDFYKZDIONG-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.94
Rot. Bonds2

About 7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one

7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 123527485) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one
PubChem CID123527485
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one
SMILESCn1ncc2cc(-c3cc4c(cc3Cl)NCC(n3cccn3)C4=O)ccc21
InChIInChI=1S/C20H16ClN5O/c1-25-18-4-3-12(7-13(18)10-24-25)14-8-15-17(9-16(14)21)22-11-19(20(15)27)26-6-2-5-23-26/h2-10,19,22H,11H2,1H3
InChIKeyUEHYDFYKZDIONG-UHFFFAOYSA-N
XLogP3.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-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 7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one (CID 123527485) is 7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one is Cn1ncc2cc(-c3cc4c(cc3Cl)NCC(n3cccn3)C4=O)ccc21.
What is the InChIKey of 7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is UEHYDFYKZDIONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-25-18-4-3-12(7-13(18)10-24-25)14-8-15-17(9-16(14)21)22-11-19(20(15)27)26-6-2-5-23-26/h2-10,19,22H,11H2,1H3.
What are the key properties of 7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one?
7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 377.84 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(1-methylindazol-5-yl)-3-pyrazol-1-yl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 123527485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).