N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide

C26H34N2O2 — CID 4192336

IUPACN-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C26H34N2O2/c1-2-3-4-5-6-7-8-9-10-13-18-27-26(29)22-20-24(25-17-14-19-30-25)28-23-16-12-11-15-21(22)23/h11-12,14-17,19-20H,2-10,13,18H2,1H3,(H,27,29)
InChIKeyFUUTYNZWKYGGNS-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.15
Rot. Bonds13

About N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide

N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 4192336) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID4192336
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C26H34N2O2/c1-2-3-4-5-6-7-8-9-10-13-18-27-26(29)22-20-24(25-17-14-19-30-25)28-23-16-12-11-15-21(22)23/h11-12,14-17,19-20H,2-10,13,18H2,1H3,(H,27,29)
InChIKeyFUUTYNZWKYGGNS-UHFFFAOYSA-N
XLogP7.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 60553437
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4124660
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4847591
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342
6-(furan-2-yl)-N-hexyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46515720

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide (CID 4192336) is N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide is CCCCCCCCCCCCNC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is FUUTYNZWKYGGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-2-3-4-5-6-7-8-9-10-13-18-27-26(29)22-20-24(25-17-14-19-30-25)28-23-16-12-11-15-21(22)23/h11-12,14-17,19-20H,2-10,13,18H2,1H3,(H,27,29).
What are the key properties of N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide?
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 7.15, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4192336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).