[6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol

C23H26FNO — CID 123525898

IUPAC[6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol
SMILESCCCC=C(c1ccc(F)cc1C)c1cc2c(cc1CO)N=C(C)CC2
InChIInChI=1S/C23H26FNO/c1-4-5-6-21(20-10-9-19(24)11-15(20)2)22-12-17-8-7-16(3)25-23(17)13-18(22)14-26/h6,9-13,26H,4-5,7-8,14H2,1-3H3
InChIKeyMOOCUPKCEAVZOM-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.90
Rot. Bonds5

About [6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol

[6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol (PubChem CID 123525898) has the molecular formula C23H26FNO and a molecular weight of 351.47 g/mol. Its IUPAC name is [6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol.

Molecular Properties

Compound Name[6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol
PubChem CID123525898
Molecular FormulaC23H26FNO
Molecular Weight351.47 g/mol
Exact Mass351.20
IUPAC Name[6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol
SMILESCCCC=C(c1ccc(F)cc1C)c1cc2c(cc1CO)N=C(C)CC2
InChIInChI=1S/C23H26FNO/c1-4-5-6-21(20-10-9-19(24)11-15(20)2)22-12-17-8-7-16(3)25-23(17)13-18(22)14-26/h6,9-13,26H,4-5,7-8,14H2,1-3H3
InChIKeyMOOCUPKCEAVZOM-UHFFFAOYSA-N
XLogP5.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol with MolForge

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Related Compounds

5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine
CID 144902233
1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea
CID 144902147
6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole
CID 144923957
N-[4-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylphenyl]-3-methylheptan-4-imine;N-methyl-N-propylpentan-1-amine
CID 144923978
1-(4-fluoro-2-methylphenyl)hexan-1-one
CID 71197787
1-[2-(2-bromoethoxy)-1-(2-methylphenyl)ethenyl]-4-fluoro-2-methylbenzene
CID 54296314
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
CID 20687997
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
(4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine
CID 81277234
4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride
CID 130174120
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone
CID 113399939

Frequently Asked Questions

What is the IUPAC name of [6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol?
The IUPAC name of [6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol (CID 123525898) is [6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol.
What is the SMILES notation for [6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol?
The canonical SMILES for [6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol is CCCC=C(c1ccc(F)cc1C)c1cc2c(cc1CO)N=C(C)CC2.
What is the InChIKey of [6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol?
The InChIKey is MOOCUPKCEAVZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO/c1-4-5-6-21(20-10-9-19(24)11-15(20)2)22-12-17-8-7-16(3)25-23(17)13-18(22)14-26/h6,9-13,26H,4-5,7-8,14H2,1-3H3.
What are the key properties of [6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol?
[6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol has a molecular weight of 351.47 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol is sourced from PubChem (CID 123525898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).