2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide

C26H22ClN3O3 — CID 46539989

IUPAC2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C26H22ClN3O3/c27-19-7-5-17(6-8-19)24-15-22(21-3-1-2-4-23(21)29-24)25(31)28-20-9-12-30(13-10-20)26(32)18-11-14-33-16-18/h1-8,11,14-16,20H,9-10,12-13H2,(H,28,31)
InChIKeyGTJWXBMFFHIIRC-UHFFFAOYSA-N
MW459.93 g/mol
LogP5.18
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide (PubChem CID 46539989) has the molecular formula C26H22ClN3O3 and a molecular weight of 459.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide
PubChem CID46539989
Molecular FormulaC26H22ClN3O3
Molecular Weight459.93 g/mol
Exact Mass459.13
IUPAC Name2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C26H22ClN3O3/c27-19-7-5-17(6-8-19)24-15-22(21-3-1-2-4-23(21)29-24)25(31)28-20-9-12-30(13-10-20)26(32)18-11-14-33-16-18/h1-8,11,14-16,20H,9-10,12-13H2,(H,28,31)
InChIKeyGTJWXBMFFHIIRC-UHFFFAOYSA-N
XLogP5.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.93
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578287
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 38199441
2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide
CID 55858725
2-(5-chlorothiophen-2-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]quinoline-4-carboxamide
CID 60513810
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 38208260
N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578200
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide (CID 46539989) is 2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide is O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide?
The InChIKey is GTJWXBMFFHIIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3/c27-19-7-5-17(6-8-19)24-15-22(21-3-1-2-4-23(21)29-24)25(31)28-20-9-12-30(13-10-20)26(32)18-11-14-33-16-18/h1-8,11,14-16,20H,9-10,12-13H2,(H,28,31).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide has a molecular weight of 459.93 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46539989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).