1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one

C17H15ClN2O — CID 91487898

IUPAC1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one
SMILESCc1ccc2cc(Cn3ccccc3=O)c(Cl)nc2c1C
InChIInChI=1S/C17H15ClN2O/c1-11-6-7-13-9-14(17(18)19-16(13)12(11)2)10-20-8-4-3-5-15(20)21/h3-9H,10H2,1-2H3
InChIKeyAPBLACKLZNXEOV-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.72
Rot. Bonds2

About 1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one

1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one (PubChem CID 91487898) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one
PubChem CID91487898
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one
SMILESCc1ccc2cc(Cn3ccccc3=O)c(Cl)nc2c1C
InChIInChI=1S/C17H15ClN2O/c1-11-6-7-13-9-14(17(18)19-16(13)12(11)2)10-20-8-4-3-5-15(20)21/h3-9H,10H2,1-2H3
InChIKeyAPBLACKLZNXEOV-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one?
The IUPAC name of 1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one (CID 91487898) is 1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one is Cc1ccc2cc(Cn3ccccc3=O)c(Cl)nc2c1C.
What is the InChIKey of 1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one?
The InChIKey is APBLACKLZNXEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-6-7-13-9-14(17(18)19-16(13)12(11)2)10-20-8-4-3-5-15(20)21/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one?
1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one has a molecular weight of 298.77 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 91487898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).