1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline

C24H31FN2O — CID 22038108

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1C)N(C1CCN(CCc3ccc(F)cc3)CC1)CCC2
InChIInChI=1S/C24H31FN2O/c1-18-23(28-2)10-7-20-4-3-14-27(24(18)20)22-12-16-26(17-13-22)15-11-19-5-8-21(25)9-6-19/h5-10,22H,3-4,11-17H2,1-2H3
InChIKeyJJTICBKWIIDDLF-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.60
Rot. Bonds5

About 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline

1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline (PubChem CID 22038108) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline
PubChem CID22038108
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1C)N(C1CCN(CCc3ccc(F)cc3)CC1)CCC2
InChIInChI=1S/C24H31FN2O/c1-18-23(28-2)10-7-20-4-3-14-27(24(18)20)22-12-16-26(17-13-22)15-11-19-5-8-21(25)9-6-19/h5-10,22H,3-4,11-17H2,1-2H3
InChIKeyJJTICBKWIIDDLF-UHFFFAOYSA-N
XLogP4.60
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline (CID 22038108) is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline is COc1ccc2c(c1C)N(C1CCN(CCc3ccc(F)cc3)CC1)CCC2.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is JJTICBKWIIDDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-18-23(28-2)10-7-20-4-3-14-27(24(18)20)22-12-16-26(17-13-22)15-11-19-5-8-21(25)9-6-19/h5-10,22H,3-4,11-17H2,1-2H3.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline?
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 382.52 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methoxy-8-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 22038108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).