N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide

C27H34N4O2 — CID 15990959

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NCCCN(C)C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C27H34N4O2/c1-31(20-11-4-3-5-12-20)18-10-17-28-27(32)22-19-26(29-23-14-7-6-13-21(22)23)30-24-15-8-9-16-25(24)33-2/h6-9,13-16,19-20H,3-5,10-12,17-18H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyFLQCDXPXBHCUJM-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.37
Rot. Bonds9

About N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide (PubChem CID 15990959) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
PubChem CID15990959
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NCCCN(C)C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C27H34N4O2/c1-31(20-11-4-3-5-12-20)18-10-17-28-27(32)22-19-26(29-23-14-7-6-13-21(22)23)30-24-15-8-9-16-25(24)33-2/h6-9,13-16,19-20H,3-5,10-12,17-18H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyFLQCDXPXBHCUJM-UHFFFAOYSA-N
XLogP5.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide
CID 15990816
N-[3-[bis(2-methylpropyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 122175018
N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 20854638
2-[3-[cyclohexyl(methyl)amino]propylamino]quinoline-4-carboxylic acid
CID 50805947
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 92660908
N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
CID 110443900
N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide
CID 131906604
2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 122175007
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
N-(2-methoxyphenyl)-4-methylquinolin-2-amine
CID 847633
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753
2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide
CID 20854476

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide (CID 15990959) is N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide is COc1ccccc1Nc1cc(C(=O)NCCCN(C)C2CCCCC2)c2ccccc2n1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide?
The InChIKey is FLQCDXPXBHCUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-31(20-11-4-3-5-12-20)18-10-17-28-27(32)22-19-26(29-23-14-7-6-13-21(22)23)30-24-15-8-9-16-25(24)33-2/h6-9,13-16,19-20H,3-5,10-12,17-18H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 5.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide is sourced from PubChem (CID 15990959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).