N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

C26H33N3O2 — CID 4292431

IUPACN-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCCCN(C)CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc12
InChIInChI=1S/C26H33N3O2/c1-4-6-17-29(3)18-9-16-27-26(30)23-19-25(28-24-11-8-7-10-22(23)24)20-12-14-21(15-13-20)31-5-2/h7-8,10-15,19H,4-6,9,16-18H2,1-3H3,(H,27,30)
InChIKeyKPHBOHFKJBQDHO-UHFFFAOYSA-N
MW419.57 g/mol
LogP5.15
Rot. Bonds11

About N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 4292431) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID4292431
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCCCN(C)CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc12
InChIInChI=1S/C26H33N3O2/c1-4-6-17-29(3)18-9-16-27-26(30)23-19-25(28-24-11-8-7-10-22(23)24)20-12-14-21(15-13-20)31-5-2/h7-8,10-15,19H,4-6,9,16-18H2,1-3H3,(H,27,30)
InChIKeyKPHBOHFKJBQDHO-UHFFFAOYSA-N
XLogP5.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(4-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide
CID 5095371
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide
CID 46480420
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide
CID 15996066
N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3426683
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide (CID 4292431) is N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide is CCCCN(C)CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc12.
What is the InChIKey of N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is KPHBOHFKJBQDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-4-6-17-29(3)18-9-16-27-26(30)23-19-25(28-24-11-8-7-10-22(23)24)20-12-14-21(15-13-20)31-5-2/h7-8,10-15,19H,4-6,9,16-18H2,1-3H3,(H,27,30).
What are the key properties of N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4292431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).