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

C17H17ClFN — CID 22194544

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H17ClFN/c1-12-4-7-17-13(9-12)3-2-8-20(17)11-14-5-6-15(19)10-16(14)18/h4-7,9-10H,2-3,8,11H2,1H3
InChIKeyNOLFCPDGDUXBQX-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.74
Rot. Bonds2

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

1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 22194544) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID22194544
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H17ClFN/c1-12-4-7-17-13(9-12)3-2-8-20(17)11-14-5-6-15(19)10-16(14)18/h4-7,9-10H,2-3,8,11H2,1H3
InChIKeyNOLFCPDGDUXBQX-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline (CID 22194544) is 1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is NOLFCPDGDUXBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-12-4-7-17-13(9-12)3-2-8-20(17)11-14-5-6-15(19)10-16(14)18/h4-7,9-10H,2-3,8,11H2,1H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline?
1-[(2-chloro-4-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-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 22194544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).