N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide

C26H24ClN3OS — CID 146025285

IUPACN-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C26H24ClN3OS/c27-19-11-9-18(10-12-19)24(30-13-3-4-14-30)17-28-26(31)21-16-23(25-8-5-15-32-25)29-22-7-2-1-6-20(21)22/h1-2,5-12,15-16,24H,3-4,13-14,17H2,(H,28,31)
InChIKeyRCBRZIAWDSLDFA-UHFFFAOYSA-N
MW462.02 g/mol
LogP6.18
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 146025285) has the molecular formula C26H24ClN3OS and a molecular weight of 462.02 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID146025285
Molecular FormulaC26H24ClN3OS
Molecular Weight462.02 g/mol
Exact Mass461.13
IUPAC NameN-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C26H24ClN3OS/c27-19-11-9-18(10-12-19)24(30-13-3-4-14-30)17-28-26(31)21-16-23(25-8-5-15-32-25)29-22-7-2-1-6-20(21)22/h1-2,5-12,15-16,24H,3-4,13-14,17H2,(H,28,31)
InChIKeyRCBRZIAWDSLDFA-UHFFFAOYSA-N
XLogP6.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.02
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 146025289
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2395138
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 24619664
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 39866693
2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide
CID 134014842
2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 35671864
N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3439014
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 5136979
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 50754305
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 112821597
N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4164269

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 146025285) is N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NCC(c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is RCBRZIAWDSLDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3OS/c27-19-11-9-18(10-12-19)24(30-13-3-4-14-30)17-28-26(31)21-16-23(25-8-5-15-32-25)29-22-7-2-1-6-20(21)22/h1-2,5-12,15-16,24H,3-4,13-14,17H2,(H,28,31).
What are the key properties of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 462.02 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 146025285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).