7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one

C14H16ClNO — CID 146630321

IUPAC7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one
SMILESCc1c(C(C)C)c(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C14H16ClNO/c1-8(2)13-9(3)11-6-5-10(15)7-12(11)16(4)14(13)17/h5-8H,1-4H3
InChIKeyFPEQSPCEFQOWSU-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.62
Rot. Bonds1

About 7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one

7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one (PubChem CID 146630321) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one
PubChem CID146630321
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one
SMILESCc1c(C(C)C)c(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C14H16ClNO/c1-8(2)13-9(3)11-6-5-10(15)7-12(11)16(4)14(13)17/h5-8H,1-4H3
InChIKeyFPEQSPCEFQOWSU-UHFFFAOYSA-N
XLogP3.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-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

7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84628273
3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one
CID 178050308
2,6-dichloro-1,3-dimethylindole
CID 117127818
6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one
CID 146630373
2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 84628715
(6-chloro-1,3-dimethylindol-2-yl)methanamine
CID 84621214
7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride
CID 170733582
6-chloro-1,4-dimethoxy-10-methylacridin-9-one
CID 102061426
3-chloro-5-methylindeno[2,1-b]quinoline-6,11-dione
CID 122194424
6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride
CID 13405828
6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one
CID 132992766
5-chloro-1,3-dimethylbenzimidazol-2-one;ethane
CID 144584589

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one?
The IUPAC name of 7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one (CID 146630321) is 7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one.
What is the SMILES notation for 7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one?
The canonical SMILES for 7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one is Cc1c(C(C)C)c(=O)n(C)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one?
The InChIKey is FPEQSPCEFQOWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-8(2)13-9(3)11-6-5-10(15)7-12(11)16(4)14(13)17/h5-8H,1-4H3.
What are the key properties of 7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one?
7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one has a molecular weight of 249.74 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one is sourced from PubChem (CID 146630321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).