1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one

C16H13ClN2O — CID 90985840

IUPAC1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one
SMILESCc1ccc2cc(Cn3ccccc3=O)c(Cl)nc2c1
InChIInChI=1S/C16H13ClN2O/c1-11-5-6-12-9-13(16(17)18-14(12)8-11)10-19-7-3-2-4-15(19)20/h2-9H,10H2,1H3
InChIKeyDVLBMOUVMBVQSD-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.41
Rot. Bonds2

About 1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one

1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one (PubChem CID 90985840) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one
PubChem CID90985840
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one
SMILESCc1ccc2cc(Cn3ccccc3=O)c(Cl)nc2c1
InChIInChI=1S/C16H13ClN2O/c1-11-5-6-12-9-13(16(17)18-14(12)8-11)10-19-7-3-2-4-15(19)20/h2-9H,10H2,1H3
InChIKeyDVLBMOUVMBVQSD-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-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

1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one
CID 118907167
(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
CID 81491962
2-[(2-chloro-7-methylquinolin-3-yl)methyl]-4-nitroisoindole-1,3-dione
CID 9119589
1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde
CID 62654035
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79994339
6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942974
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol
CID 115874196
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79874159
[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol
CID 60661917
6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911410
1-[(2-chloroquinolin-3-yl)methyl]-5-nitropyridin-2-one
CID 27041282
1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one
CID 39967034

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one?
The IUPAC name of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one (CID 90985840) is 1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one is Cc1ccc2cc(Cn3ccccc3=O)c(Cl)nc2c1.
What is the InChIKey of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one?
The InChIKey is DVLBMOUVMBVQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-5-6-12-9-13(16(17)18-14(12)8-11)10-19-7-3-2-4-15(19)20/h2-9H,10H2,1H3.
What are the key properties of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one?
1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one has a molecular weight of 284.75 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 90985840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).