4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline

C12H11ClFNO — CID 103996653

IUPAC4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
SMILESCOc1cc2c(Cl)c(C)c(C)nc2cc1F
InChIInChI=1S/C12H11ClFNO/c1-6-7(2)15-10-5-9(14)11(16-3)4-8(10)12(6)13/h4-5H,1-3H3
InChIKeyCLJWOCNJRTYEGK-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.65
Rot. Bonds1

About 4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline

4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline (PubChem CID 103996653) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
PubChem CID103996653
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
SMILESCOc1cc2c(Cl)c(C)c(C)nc2cc1F
InChIInChI=1S/C12H11ClFNO/c1-6-7(2)15-10-5-9(14)11(16-3)4-8(10)12(6)13/h4-5H,1-3H3
InChIKeyCLJWOCNJRTYEGK-UHFFFAOYSA-N
XLogP3.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dichloro-2,3,6-trimethylquinoline
CID 104722009
4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline
CID 170432061
7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
CID 113363415
2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline
CID 87401887
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
4-chloro-7-methoxy-2,3,6-trimethylquinoline;7-methoxy-2,3,6-trimethyl-1H-quinolin-4-one
CID 161424987
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline
CID 170432171
4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline
CID 103996648
3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline
CID 157046873
7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine
CID 103996775
4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 62913699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline?
The IUPAC name of 4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline (CID 103996653) is 4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline.
What is the SMILES notation for 4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline?
The canonical SMILES for 4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline is COc1cc2c(Cl)c(C)c(C)nc2cc1F.
What is the InChIKey of 4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline?
The InChIKey is CLJWOCNJRTYEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c1-6-7(2)15-10-5-9(14)11(16-3)4-8(10)12(6)13/h4-5H,1-3H3.
What are the key properties of 4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline?
4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline has a molecular weight of 239.68 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline is sourced from PubChem (CID 103996653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).