(Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine

C17H26FN3 — CID 145408790

IUPAC(Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine
SMILESCCN1CCCc2cc(/C(=C/N)CNC)c(C(C)F)cc21
InChIInChI=1S/C17H26FN3/c1-4-21-7-5-6-13-8-16(14(10-19)11-20-3)15(12(2)18)9-17(13)21/h8-10,12,20H,4-7,11,19H2,1-3H3/b14-10+
InChIKeyVMYPVZDRIUBWHM-GXDHUFHOSA-N
MW291.41 g/mol
LogP3.01
Rot. Bonds5

About (Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine

(Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine (PubChem CID 145408790) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is (Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine
PubChem CID145408790
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name(Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine
SMILESCCN1CCCc2cc(/C(=C/N)CNC)c(C(C)F)cc21
InChIInChI=1S/C17H26FN3/c1-4-21-7-5-6-13-8-16(14(10-19)11-20-3)15(12(2)18)9-17(13)21/h8-10,12,20H,4-7,11,19H2,1-3H3/b14-10+
InChIKeyVMYPVZDRIUBWHM-GXDHUFHOSA-N
XLogP3.01
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze (Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine with MolForge

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Related Compounds

6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 134147456
(4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 162643595
2,2,4,6,7-Pentamethyl-1,2-dihydroquinoline
CID 647805
1-(1-Methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-amine--hydrogen chloride (1/2)
CID 3043615
7-Methyl-1,2,3,4-tetrahydroquinoline
CID 458680
6-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 12647571
(R)-2,11-Diaminoaporphine
CID 44568534
1-(1-Methyl-1,2,3,4-tetrahydroquinolin-6-YL)methanamine
CID 1112172
2,4,7,8-Tetramethyl-1,2,3,4-tetrahydroquinoline hydrochloride
CID 6602717
1-(3-Ethylnaphthalen-1-yl)piperazine;hydrochloride
CID 45263166
1-[2-(3,4-Dimethylphenyl)phenyl]piperazine
CID 60195993

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine?
The IUPAC name of (Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine (CID 145408790) is (Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine is CCN1CCCc2cc(/C(=C/N)CNC)c(C(C)F)cc21.
What is the InChIKey of (Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine?
The InChIKey is VMYPVZDRIUBWHM-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H26FN3/c1-4-21-7-5-6-13-8-16(14(10-19)11-20-3)15(12(2)18)9-17(13)21/h8-10,12,20H,4-7,11,19H2,1-3H3/b14-10+.
What are the key properties of (Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine?
(Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine has a molecular weight of 291.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine is sourced from PubChem (CID 145408790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).