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

C23H31FN2O — CID 70883520

IUPAC3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccc3c(c2C)N(CCOC)CCC3)cc1F
InChIInChI=1S/C23H31FN2O/c1-4-6-18-10-11-21(15-22(18)24)25-16-20-9-8-19-7-5-12-26(13-14-27-3)23(19)17(20)2/h8-11,15,25H,4-7,12-14,16H2,1-3H3
InChIKeyUCULZIRVLFWLBE-UHFFFAOYSA-N
MW370.51 g/mol
LogP5.10
Rot. Bonds8

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

3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline (PubChem CID 70883520) has the molecular formula C23H31FN2O and a molecular weight of 370.51 g/mol. Its IUPAC name is 3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline.

Molecular Properties

Compound Name3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline
PubChem CID70883520
Molecular FormulaC23H31FN2O
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccc3c(c2C)N(CCOC)CCC3)cc1F
InChIInChI=1S/C23H31FN2O/c1-4-6-18-10-11-21(15-22(18)24)25-16-20-9-8-19-7-5-12-26(13-14-27-3)23(19)17(20)2/h8-11,15,25H,4-7,12-14,16H2,1-3H3
InChIKeyUCULZIRVLFWLBE-UHFFFAOYSA-N
XLogP5.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline?
The IUPAC name of 3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline (CID 70883520) is 3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline.
What is the SMILES notation for 3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline?
The canonical SMILES for 3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline is CCCc1ccc(NCc2ccc3c(c2C)N(CCOC)CCC3)cc1F.
What is the InChIKey of 3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline?
The InChIKey is UCULZIRVLFWLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O/c1-4-6-18-10-11-21(15-22(18)24)25-16-20-9-8-19-7-5-12-26(13-14-27-3)23(19)17(20)2/h8-11,15,25H,4-7,12-14,16H2,1-3H3.
What are the key properties of 3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline?
3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline has a molecular weight of 370.51 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-propylaniline is sourced from PubChem (CID 70883520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).