4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide

C19H26N4O2 — CID 72885784

IUPAC4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide
SMILESCOCCCCN1CCN(C(=O)Nc2ccc3ncccc3c2)CC1
InChIInChI=1S/C19H26N4O2/c1-25-14-3-2-9-22-10-12-23(13-11-22)19(24)21-17-6-7-18-16(15-17)5-4-8-20-18/h4-8,15H,2-3,9-14H2,1H3,(H,21,24)
InChIKeyIUKXCKOGBPSPIS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.81
Rot. Bonds6

About 4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide

4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide (PubChem CID 72885784) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide
PubChem CID72885784
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide
SMILESCOCCCCN1CCN(C(=O)Nc2ccc3ncccc3c2)CC1
InChIInChI=1S/C19H26N4O2/c1-25-14-3-2-9-22-10-12-23(13-11-22)19(24)21-17-6-7-18-16(15-17)5-4-8-20-18/h4-8,15H,2-3,9-14H2,1H3,(H,21,24)
InChIKeyIUKXCKOGBPSPIS-UHFFFAOYSA-N
XLogP2.81
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.81
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

methyl 3-[[4-(3-methoxypropyl)piperazine-1-carbonyl]amino]benzoate
CID 113105249
N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105247
N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105254
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798
N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733890
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea
CID 97444304
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide
CID 97282653
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 46389546
N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831420

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide (CID 72885784) is 4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide is COCCCCN1CCN(C(=O)Nc2ccc3ncccc3c2)CC1.
What is the InChIKey of 4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide?
The InChIKey is IUKXCKOGBPSPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-25-14-3-2-9-22-10-12-23(13-11-22)19(24)21-17-6-7-18-16(15-17)5-4-8-20-18/h4-8,15H,2-3,9-14H2,1H3,(H,21,24).
What are the key properties of 4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide?
4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide is sourced from PubChem (CID 72885784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).