2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine

C23H26N2OS — CID 26347940

IUPAC2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
SMILESCOc1ccc2cc(CNCCC3=CCCCC3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C23H26N2OS/c1-26-21-8-7-18-13-20(15-24-11-9-17-5-3-2-4-6-17)23(25-22(18)14-21)19-10-12-27-16-19/h5,7-8,10,12-14,16,24H,2-4,6,9,11,15H2,1H3
InChIKeyQNVTYKGJZVLSDG-UHFFFAOYSA-N
MW378.54 g/mol
LogP5.95
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine (PubChem CID 26347940) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
PubChem CID26347940
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
SMILESCOc1ccc2cc(CNCCC3=CCCCC3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C23H26N2OS/c1-26-21-8-7-18-13-20(15-24-11-9-17-5-3-2-4-6-17)23(25-22(18)14-21)19-10-12-27-16-19/h5,7-8,10,12-14,16,24H,2-4,6,9,11,15H2,1H3
InChIKeyQNVTYKGJZVLSDG-UHFFFAOYSA-N
XLogP5.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine with MolForge

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Related Compounds

1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 56856883
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 42167773
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 29085678
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 31016911
2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol
CID 103923815
N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide
CID 17489789
7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine
CID 59804087
N-[2-(4-chlorophenyl)ethyl]-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanesulfonamide
CID 24969871
2-(cyclohexen-1-yl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 110652740
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 5147026
2-(cyclohexen-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 18778647
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine
CID 25292365

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine (CID 26347940) is 2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine is COc1ccc2cc(CNCCC3=CCCCC3)c(-c3ccsc3)nc2c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine?
The InChIKey is QNVTYKGJZVLSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-26-21-8-7-18-13-20(15-24-11-9-17-5-3-2-4-6-17)23(25-22(18)14-21)19-10-12-27-16-19/h5,7-8,10,12-14,16,24H,2-4,6,9,11,15H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine has a molecular weight of 378.54 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine is sourced from PubChem (CID 26347940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).