2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide

C30H34N2O2 — CID 155200096

IUPAC2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide
SMILESCCCCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(OCC2=CCCC=C2)c1
InChIInChI=1S/C30H34N2O2/c1-2-3-4-10-18-31-29(33)20-25-21-32-28-17-9-8-16-27(28)30(25)24-14-11-15-26(19-24)34-22-23-12-6-5-7-13-23/h6,8-9,11-17,19,21H,2-5,7,10,18,20,22H2,1H3,(H,31,33)
InChIKeyPPPHSMWWEAKULV-UHFFFAOYSA-N
MW454.61 g/mol
LogP6.80
Rot. Bonds11

About 2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide

2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide (PubChem CID 155200096) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is 2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide.

Molecular Properties

Compound Name2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide
PubChem CID155200096
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide
SMILESCCCCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(OCC2=CCCC=C2)c1
InChIInChI=1S/C30H34N2O2/c1-2-3-4-10-18-31-29(33)20-25-21-32-28-17-9-8-16-27(28)30(25)24-14-11-15-26(19-24)34-22-23-12-6-5-7-13-23/h6,8-9,11-17,19,21H,2-5,7,10,18,20,22H2,1H3,(H,31,33)
InChIKeyPPPHSMWWEAKULV-UHFFFAOYSA-N
XLogP6.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide
CID 123824387
1-(4-phenylquinolin-3-yl)nonan-2-one
CID 149426498
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
[7-oxo-8-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]octyl] propan-2-yl phosphate
CID 149369994
[6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate
CID 158057478
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
N-(4-hydroxybutyl)-2-(4-phenyl-8-propylquinolin-3-yl)acetamide
CID 144823376
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one
CID 147949604

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide?
The IUPAC name of 2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide (CID 155200096) is 2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide.
What is the SMILES notation for 2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide?
The canonical SMILES for 2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide is CCCCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(OCC2=CCCC=C2)c1.
What is the InChIKey of 2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide?
The InChIKey is PPPHSMWWEAKULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-2-3-4-10-18-31-29(33)20-25-21-32-28-17-9-8-16-27(28)30(25)24-14-11-15-26(19-24)34-22-23-12-6-5-7-13-23/h6,8-9,11-17,19,21H,2-5,7,10,18,20,22H2,1H3,(H,31,33).
What are the key properties of 2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide?
2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide has a molecular weight of 454.61 g/mol, XLogP of 6.80, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide is sourced from PubChem (CID 155200096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).