N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide

C26H18ClN3OS — CID 4155187

IUPACN-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C26H18ClN3OS/c27-25-15-14-24(32-25)23-16-21(20-8-4-5-9-22(20)30-23)26(31)29-19-12-10-18(11-13-19)28-17-6-2-1-3-7-17/h1-16,28H,(H,29,31)
InChIKeyGTWGTYQFUOYMEZ-UHFFFAOYSA-N
MW455.97 g/mol
LogP7.61
Rot. Bonds5

About N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide

N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide (PubChem CID 4155187) has the molecular formula C26H18ClN3OS and a molecular weight of 455.97 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
PubChem CID4155187
Molecular FormulaC26H18ClN3OS
Molecular Weight455.97 g/mol
Exact Mass455.09
IUPAC NameN-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C26H18ClN3OS/c27-25-15-14-24(32-25)23-16-21(20-8-4-5-9-22(20)30-23)26(31)29-19-12-10-18(11-13-19)28-17-6-2-1-3-7-17/h1-16,28H,(H,29,31)
InChIKeyGTWGTYQFUOYMEZ-UHFFFAOYSA-N
XLogP7.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.97
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796
2-(5-chlorothiophen-2-yl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1023167
2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide
CID 55496001
2-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4183460
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
2-(5-chlorothiophen-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4115953
2-(5-chlorothiophen-2-yl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4152465
2-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)quinoline-4-carboxamide
CID 4198471
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1009474
2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide
CID 18229256
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide (CID 4155187) is N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide?
The InChIKey is GTWGTYQFUOYMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3OS/c27-25-15-14-24(32-25)23-16-21(20-8-4-5-9-22(20)30-23)26(31)29-19-12-10-18(11-13-19)28-17-6-2-1-3-7-17/h1-16,28H,(H,29,31).
What are the key properties of N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide?
N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 455.97 g/mol, XLogP of 7.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4155187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).