(6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone

C19H13ClN4O — CID 899145

IUPAC(6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)c1
InChIInChI=1S/C19H13ClN4O/c1-12-10-22-24(11-12)19(25)15-9-18(17-4-2-3-7-21-17)23-16-6-5-13(20)8-14(15)16/h2-11H,1H3
InChIKeyFNCOAXDIWOTYAJ-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.14
Rot. Bonds2

About (6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone

(6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone (PubChem CID 899145) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is (6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone
PubChem CID899145
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name(6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)c1
InChIInChI=1S/C19H13ClN4O/c1-12-10-22-24(11-12)19(25)15-9-18(17-4-2-3-7-21-17)23-16-6-5-13(20)8-14(15)16/h2-11H,1H3
InChIKeyFNCOAXDIWOTYAJ-UHFFFAOYSA-N
XLogP4.14
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone 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-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone?
The IUPAC name of (6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone (CID 899145) is (6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone.
What is the SMILES notation for (6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone?
The canonical SMILES for (6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone is Cc1cnn(C(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)c1.
What is the InChIKey of (6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone?
The InChIKey is FNCOAXDIWOTYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c1-12-10-22-24(11-12)19(25)15-9-18(17-4-2-3-7-21-17)23-16-6-5-13(20)8-14(15)16/h2-11H,1H3.
What are the key properties of (6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone?
(6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone has a molecular weight of 348.79 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 899145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).