3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline

C24H33FN2O — CID 70883468

IUPAC3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccc3c(c2C)N(CCCOC)CCC3)cc1F
InChIInChI=1S/C24H33FN2O/c1-4-7-19-11-12-22(16-23(19)25)26-17-21-10-9-20-8-5-13-27(14-6-15-28-3)24(20)18(21)2/h9-12,16,26H,4-8,13-15,17H2,1-3H3
InChIKeyKDFYCOUEPRVVCT-UHFFFAOYSA-N
MW384.54 g/mol
LogP5.49
Rot. Bonds9

About 3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline

3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline (PubChem CID 70883468) has the molecular formula C24H33FN2O and a molecular weight of 384.54 g/mol. Its IUPAC name is 3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline.

Molecular Properties

Compound Name3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline
PubChem CID70883468
Molecular FormulaC24H33FN2O
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC Name3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccc3c(c2C)N(CCCOC)CCC3)cc1F
InChIInChI=1S/C24H33FN2O/c1-4-7-19-11-12-22(16-23(19)25)26-17-21-10-9-20-8-5-13-27(14-6-15-28-3)24(20)18(21)2/h9-12,16,26H,4-8,13-15,17H2,1-3H3
InChIKeyKDFYCOUEPRVVCT-UHFFFAOYSA-N
XLogP5.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline?
The IUPAC name of 3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline (CID 70883468) is 3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline.
What is the SMILES notation for 3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline?
The canonical SMILES for 3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline is CCCc1ccc(NCc2ccc3c(c2C)N(CCCOC)CCC3)cc1F.
What is the InChIKey of 3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline?
The InChIKey is KDFYCOUEPRVVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O/c1-4-7-19-11-12-22(16-23(19)25)26-17-21-10-9-20-8-5-13-27(14-6-15-28-3)24(20)18(21)2/h9-12,16,26H,4-8,13-15,17H2,1-3H3.
What are the key properties of 3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline?
3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline has a molecular weight of 384.54 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-(3-methoxypropyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline is sourced from PubChem (CID 70883468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).