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

C16H14ClN3O2 — CID 118955416

IUPAC6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
SMILESCn1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O
InChIInChI=1S/C16H14ClN3O2/c1-20-6-2-3-14(16(20)22)18-9-11-7-10-8-12(17)4-5-13(10)19-15(11)21/h2-8,18H,9H2,1H3,(H,19,21)
InChIKeyLEVPMQPHTKJABL-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.49
Rot. Bonds3

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

6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 118955416) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
PubChem CID118955416
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
SMILESCn1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O
InChIInChI=1S/C16H14ClN3O2/c1-20-6-2-3-14(16(20)22)18-9-11-7-10-8-12(17)4-5-13(10)19-15(11)21/h2-8,18H,9H2,1H3,(H,19,21)
InChIKeyLEVPMQPHTKJABL-UHFFFAOYSA-N
XLogP2.49
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[[(1-methyl-2-oxo-3-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

Related Compounds

Olutasidenib
CID 118955396
N-(4'-chloro-(1,1'-biphenyl)-2-yl)-2-hydroxypyridine-3-carboxamide
CID 132933455
Avizafone
CID 71968
Acetamide, 2-(acetylamino)-N-(2-benzoyl-4-chlorophenyl)-
CID 200017
N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 6493742
3-Amino-6-chloro-4-phenylquinolin-2-ol
CID 3810484
7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione
CID 330746
1-allyl-N-(4-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486110
1-allyl-N-(3-chloro-4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486112
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
4-acetyl-7-chloro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 5113339
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6466542

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one (CID 118955416) is 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one is Cn1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O.
What is the InChIKey of 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is LEVPMQPHTKJABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-20-6-2-3-14(16(20)22)18-9-11-7-10-8-12(17)4-5-13(10)19-15(11)21/h2-8,18H,9H2,1H3,(H,19,21).
What are the key properties of 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 315.76 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 118955416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).