N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide

C26H26N3O2+ — CID 2425720

IUPACN-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C26H25N3O2/c30-26(27-20-12-14-29(15-13-20)18-19-7-2-1-3-8-19)22-17-24(25-11-6-16-31-25)28-23-10-5-4-9-21(22)23/h1-11,16-17,20H,12-15,18H2,(H,27,30)/p+1
InChIKeyPQNVUDUSSGTITE-UHFFFAOYSA-O
MW412.51 g/mol
LogP3.47
Rot. Bonds5

About N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide

N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 2425720) has the molecular formula C26H26N3O2+ and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID2425720
Molecular FormulaC26H26N3O2+
Molecular Weight412.51 g/mol
Exact Mass412.20
IUPAC NameN-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C26H25N3O2/c30-26(27-20-12-14-29(15-13-20)18-19-7-2-1-3-8-19)22-17-24(25-11-6-16-31-25)28-23-10-5-4-9-21(22)23/h1-11,16-17,20H,12-15,18H2,(H,27,30)/p+1
InChIKeyPQNVUDUSSGTITE-UHFFFAOYSA-O
XLogP3.47
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4124660
2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 39339230
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505811
N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505812
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 6598868
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
2-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749451
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
1-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 8742136

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide (CID 2425720) is N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide is O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is PQNVUDUSSGTITE-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H25N3O2/c30-26(27-20-12-14-29(15-13-20)18-19-7-2-1-3-8-19)22-17-24(25-11-6-16-31-25)28-23-10-5-4-9-21(22)23/h1-11,16-17,20H,12-15,18H2,(H,27,30)/p+1.
What are the key properties of N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide?
N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2425720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).