N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

C21H15IN2OS — CID 2340923

IUPACN-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H15IN2OS/c1-13-11-14(22)8-9-17(13)24-21(25)16-12-19(20-7-4-10-26-20)23-18-6-3-2-5-15(16)18/h2-12H,1H3,(H,24,25)
InChIKeyYUTVDEGMBOXDTH-UHFFFAOYSA-N
MW470.34 g/mol
LogP6.13
Rot. Bonds3

About N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2340923) has the molecular formula C21H15IN2OS and a molecular weight of 470.34 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2340923
Molecular FormulaC21H15IN2OS
Molecular Weight470.34 g/mol
Exact Mass469.99
IUPAC NameN-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H15IN2OS/c1-13-11-14(22)8-9-17(13)24-21(25)16-12-19(20-7-4-10-26-20)23-18-6-3-2-5-15(16)18/h2-12H,1H3,(H,24,25)
InChIKeyYUTVDEGMBOXDTH-UHFFFAOYSA-N
XLogP6.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.34
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
2-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4183460
2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 18268811
methyl 4-fluoro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 46519301
methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
CID 4154099

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 2340923) is N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is Cc1cc(I)ccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is YUTVDEGMBOXDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15IN2OS/c1-13-11-14(22)8-9-17(13)24-21(25)16-12-19(20-7-4-10-26-20)23-18-6-3-2-5-15(16)18/h2-12H,1H3,(H,24,25).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 470.34 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2340923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).