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

C23H31FN2 — CID 70883521

IUPAC3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccc3c(c2C)N(C(C)C)CCC3)cc1F
InChIInChI=1S/C23H31FN2/c1-5-7-18-11-12-21(14-22(18)24)25-15-20-10-9-19-8-6-13-26(16(2)3)23(19)17(20)4/h9-12,14,16,25H,5-8,13,15H2,1-4H3
InChIKeyUEXCCXQABZPLFY-UHFFFAOYSA-N
MW354.51 g/mol
LogP5.86
Rot. Bonds6

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

3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline (PubChem CID 70883521) has the molecular formula C23H31FN2 and a molecular weight of 354.51 g/mol. Its IUPAC name is 3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline.

Molecular Properties

Compound Name3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline
PubChem CID70883521
Molecular FormulaC23H31FN2
Molecular Weight354.51 g/mol
Exact Mass354.25
IUPAC Name3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccc3c(c2C)N(C(C)C)CCC3)cc1F
InChIInChI=1S/C23H31FN2/c1-5-7-18-11-12-21(14-22(18)24)25-15-20-10-9-19-8-6-13-26(16(2)3)23(19)17(20)4/h9-12,14,16,25H,5-8,13,15H2,1-4H3
InChIKeyUEXCCXQABZPLFY-UHFFFAOYSA-N
XLogP5.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

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7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 134147456
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CID 162643595
6,7-dimethyl-4-methylene-3-phenyl-3,4-dihydro-2(1H)-quinazolinone
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CID 3946411

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline?
The IUPAC name of 3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline (CID 70883521) is 3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline.
What is the SMILES notation for 3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline?
The canonical SMILES for 3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline is CCCc1ccc(NCc2ccc3c(c2C)N(C(C)C)CCC3)cc1F.
What is the InChIKey of 3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline?
The InChIKey is UEXCCXQABZPLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2/c1-5-7-18-11-12-21(14-22(18)24)25-15-20-10-9-19-8-6-13-26(16(2)3)23(19)17(20)4/h9-12,14,16,25H,5-8,13,15H2,1-4H3.
What are the key properties of 3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline?
3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline has a molecular weight of 354.51 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propylaniline is sourced from PubChem (CID 70883521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).