1-(7-chloro-3-methylquinolin-6-yl)propan-1-one

C13H12ClNO — CID 57319411

IUPAC1-(7-chloro-3-methylquinolin-6-yl)propan-1-one
SMILESCCC(=O)c1cc2cc(C)cnc2cc1Cl
InChIInChI=1S/C13H12ClNO/c1-3-13(16)10-5-9-4-8(2)7-15-12(9)6-11(10)14/h4-7H,3H2,1-2H3
InChIKeyQLAZKKMIJKHGRC-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.79
Rot. Bonds2

About 1-(7-chloro-3-methylquinolin-6-yl)propan-1-one

1-(7-chloro-3-methylquinolin-6-yl)propan-1-one (PubChem CID 57319411) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-(7-chloro-3-methylquinolin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(7-chloro-3-methylquinolin-6-yl)propan-1-one
PubChem CID57319411
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name1-(7-chloro-3-methylquinolin-6-yl)propan-1-one
SMILESCCC(=O)c1cc2cc(C)cnc2cc1Cl
InChIInChI=1S/C13H12ClNO/c1-3-13(16)10-5-9-4-8(2)7-15-12(9)6-11(10)14/h4-7H,3H2,1-2H3
InChIKeyQLAZKKMIJKHGRC-UHFFFAOYSA-N
XLogP3.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
1-(2-chloro-5-methyl-4-pyridinyl)propan-1-one
CID 170702285
methyl 3,7-dichloroquinoline-6-carboxylate
CID 57210389
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
7-chloro-3-methylquinoline
CID 23510375
N-[2-(3-methylquinolin-7-yl)ethyl]propanamide
CID 123526168
1-(4,6-dimethylpyrimidin-2-yl)propan-1-one
CID 58291736
1-(7-chloroquinolin-4-yl)propan-1-one
CID 139684148
2,7-dichloro-3-methylquinoline-6-carbonyl chloride
CID 156830699
3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586
1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one
CID 71333475
4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide
CID 70931222

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3-methylquinolin-6-yl)propan-1-one?
The IUPAC name of 1-(7-chloro-3-methylquinolin-6-yl)propan-1-one (CID 57319411) is 1-(7-chloro-3-methylquinolin-6-yl)propan-1-one.
What is the SMILES notation for 1-(7-chloro-3-methylquinolin-6-yl)propan-1-one?
The canonical SMILES for 1-(7-chloro-3-methylquinolin-6-yl)propan-1-one is CCC(=O)c1cc2cc(C)cnc2cc1Cl.
What is the InChIKey of 1-(7-chloro-3-methylquinolin-6-yl)propan-1-one?
The InChIKey is QLAZKKMIJKHGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-3-13(16)10-5-9-4-8(2)7-15-12(9)6-11(10)14/h4-7H,3H2,1-2H3.
What are the key properties of 1-(7-chloro-3-methylquinolin-6-yl)propan-1-one?
1-(7-chloro-3-methylquinolin-6-yl)propan-1-one has a molecular weight of 233.70 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3-methylquinolin-6-yl)propan-1-one is sourced from PubChem (CID 57319411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).