1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline

C17H17ClFN — CID 22194542

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFN/c1-12-7-8-17-13(10-12)4-3-9-20(17)11-14-15(18)5-2-6-16(14)19/h2,5-8,10H,3-4,9,11H2,1H3
InChIKeySPURGKAPDCYOAZ-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.74
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline

1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 22194542) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID22194542
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFN/c1-12-7-8-17-13(10-12)4-3-9-20(17)11-14-15(18)5-2-6-16(14)19/h2,5-8,10H,3-4,9,11H2,1H3
InChIKeySPURGKAPDCYOAZ-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 114930465
3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 63405916
1-[3-chloro-2-(chloromethyl)phenyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 28946471
2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63783725
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 115980030
potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide
CID 63702785
2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512095
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 60861432
N-ethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-2-amine
CID 79233864
2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 79317190
N-methyl-3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-2-amine
CID 62471854

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline (CID 22194542) is 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is SPURGKAPDCYOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-12-7-8-17-13(10-12)4-3-9-20(17)11-14-15(18)5-2-6-16(14)19/h2,5-8,10H,3-4,9,11H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline?
1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 289.78 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 22194542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).