5-chloro-1-methylquinolin-4-one

C10H8ClNO — CID 122129798

IUPAC5-chloro-1-methylquinolin-4-one
SMILESCn1ccc(=O)c2c(Cl)cccc21
InChIInChI=1S/C10H8ClNO/c1-12-6-5-9(13)10-7(11)3-2-4-8(10)12/h2-6H,1H3
InChIKeyZULVLQKIYDNGAD-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.19
Rot. Bonds

About 5-chloro-1-methylquinolin-4-one

5-chloro-1-methylquinolin-4-one (PubChem CID 122129798) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 5-chloro-1-methylquinolin-4-one.

Molecular Properties

Compound Name5-chloro-1-methylquinolin-4-one
PubChem CID122129798
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name5-chloro-1-methylquinolin-4-one
SMILESCn1ccc(=O)c2c(Cl)cccc21
InChIInChI=1S/C10H8ClNO/c1-12-6-5-9(13)10-7(11)3-2-4-8(10)12/h2-6H,1H3
InChIKeyZULVLQKIYDNGAD-UHFFFAOYSA-N
XLogP2.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-1-methylquinolin-4-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

1,5-dimethylquinolin-4-one
CID 138533371
4-chloro-1-methylindole;ethane
CID 142062846
5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one
CID 170649649
(4-chloro-1-methylindol-3-yl)methanol
CID 117119629
5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one
CID 170649665
2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one
CID 175486268
4-chloro-3-(iodomethyl)-1-methylindole;N,N-dimethylmethanamine
CID 69427691
4-chloro-1-propan-2-yl-2H-indazol-3-one
CID 105464602
(3-chloro-1-methylindol-4-yl)azanium
CID 154616293
4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde
CID 87204536
6-bromo-1-methylquinolin-4-one
CID 1377385
1,6-dimethylquinolin-4-one;ethane
CID 144950018

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylquinolin-4-one?
The IUPAC name of 5-chloro-1-methylquinolin-4-one (CID 122129798) is 5-chloro-1-methylquinolin-4-one.
What is the SMILES notation for 5-chloro-1-methylquinolin-4-one?
The canonical SMILES for 5-chloro-1-methylquinolin-4-one is Cn1ccc(=O)c2c(Cl)cccc21.
What is the InChIKey of 5-chloro-1-methylquinolin-4-one?
The InChIKey is ZULVLQKIYDNGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-12-6-5-9(13)10-7(11)3-2-4-8(10)12/h2-6H,1H3.
What are the key properties of 5-chloro-1-methylquinolin-4-one?
5-chloro-1-methylquinolin-4-one has a molecular weight of 193.63 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylquinolin-4-one is sourced from PubChem (CID 122129798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).