N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide

C21H22N2O2 — CID 59192120

IUPACN-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
SMILESCCCCOc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C21H22N2O2/c1-2-3-13-25-19-9-6-16(7-10-19)15-23-21(24)18-8-11-20-17(14-18)5-4-12-22-20/h4-12,14H,2-3,13,15H2,1H3,(H,23,24)
InChIKeyGHZMWASWSWSHIR-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.34
Rot. Bonds7

About N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide

N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide (PubChem CID 59192120) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
PubChem CID59192120
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
SMILESCCCCOc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C21H22N2O2/c1-2-3-13-25-19-9-6-16(7-10-19)15-23-21(24)18-8-11-20-17(14-18)5-4-12-22-20/h4-12,14H,2-3,13,15H2,1H3,(H,23,24)
InChIKeyGHZMWASWSWSHIR-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide 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-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[(5-butoxy-2-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192103
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 58388068
N-octylquinoline-6-carboxamide
CID 68863650
N-[[3-[(E)-oct-5-enoxy]phenyl]methyl]quinoline-6-carboxamide
CID 68781419
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[(3-hept-5-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68732822
N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide
CID 59192260
N-[(3-pent-3-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734738
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide (CID 59192120) is N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide is CCCCOc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide?
The InChIKey is GHZMWASWSWSHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-2-3-13-25-19-9-6-16(7-10-19)15-23-21(24)18-8-11-20-17(14-18)5-4-12-22-20/h4-12,14H,2-3,13,15H2,1H3,(H,23,24).
What are the key properties of N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide?
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 59192120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).