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

C26H22ClN3O2S — CID 60578287

IUPACN-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1)c1ccsc1
InChIInChI=1S/C26H22ClN3O2S/c27-19-7-5-17(6-8-19)24-15-22(21-3-1-2-4-23(21)29-24)26(32)30-12-9-20(10-13-30)28-25(31)18-11-14-33-16-18/h1-8,11,14-16,20H,9-10,12-13H2,(H,28,31)
InChIKeyOLXHZOOBRGIMSZ-UHFFFAOYSA-N
MW476.00 g/mol
LogP5.65
Rot. Bonds4

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

N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 60578287) has the molecular formula C26H22ClN3O2S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID60578287
Molecular FormulaC26H22ClN3O2S
Molecular Weight476.00 g/mol
Exact Mass475.11
IUPAC NameN-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1)c1ccsc1
InChIInChI=1S/C26H22ClN3O2S/c27-19-7-5-17(6-8-19)24-15-22(21-3-1-2-4-23(21)29-24)26(32)30-12-9-20(10-13-30)28-25(31)18-11-14-33-16-18/h1-8,11,14-16,20H,9-10,12-13H2,(H,28,31)
InChIKeyOLXHZOOBRGIMSZ-UHFFFAOYSA-N
XLogP5.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.00
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578200
2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide
CID 46539989
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 42749505
6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182545
2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide
CID 55858725
N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 44758914
2-(5-chlorothiophen-2-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]quinoline-4-carboxamide
CID 60513810

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide (CID 60578287) is N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1)c1ccsc1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is OLXHZOOBRGIMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2S/c27-19-7-5-17(6-8-19)24-15-22(21-3-1-2-4-23(21)29-24)26(32)30-12-9-20(10-13-30)28-25(31)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 N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 60578287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).