6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one

C16H14ClN3O — CID 118956202

IUPAC6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1ccnc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1
InChIInChI=1S/C16H14ClN3O/c1-10-4-5-18-15(6-10)19-9-12-7-11-8-13(17)2-3-14(11)20-16(12)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyCBFXKVFGFBFFOJ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.50
Rot. Bonds3

About 6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one

6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 118956202) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one
PubChem CID118956202
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1ccnc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1
InChIInChI=1S/C16H14ClN3O/c1-10-4-5-18-15(6-10)19-9-12-7-11-8-13(17)2-3-14(11)20-16(12)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyCBFXKVFGFBFFOJ-UHFFFAOYSA-N
XLogP3.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-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-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one (CID 118956202) is 6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one is Cc1ccnc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1.
What is the InChIKey of 6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is CBFXKVFGFBFFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-4-5-18-15(6-10)19-9-12-7-11-8-13(17)2-3-14(11)20-16(12)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 299.76 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 118956202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).