N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

C22H17N3OS2 — CID 4137707

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3ccccc3n2)s1
InChIInChI=1S/C22H17N3OS2/c1-12-8-9-20(27-12)19-10-16(15-6-4-5-7-18(15)24-19)21(26)25-22-17(11-23)13(2)14(3)28-22/h4-10H,1-3H3,(H,25,26)
InChIKeyIBVAXGWAHXLLDZ-UHFFFAOYSA-N
MW403.53 g/mol
LogP6.07
Rot. Bonds3

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 4137707) has the molecular formula C22H17N3OS2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
PubChem CID4137707
Molecular FormulaC22H17N3OS2
Molecular Weight403.53 g/mol
Exact Mass403.08
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3ccccc3n2)s1
InChIInChI=1S/C22H17N3OS2/c1-12-8-9-20(27-12)19-10-16(15-6-4-5-7-18(15)24-19)21(26)25-22-17(11-23)13(2)14(3)28-22/h4-10H,1-3H3,(H,25,26)
InChIKeyIBVAXGWAHXLLDZ-UHFFFAOYSA-N
XLogP6.07
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide with MolForge

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Related Compounds

2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 4137703
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1009474
ethyl 4-cyano-5-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 4054402
N-(2-chloro-4-nitrophenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4591737
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249
2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
CID 19685073
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide
CID 43981400
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 4296746
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4605668
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 5219471
2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3275160

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 4137707) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3ccccc3n2)s1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The InChIKey is IBVAXGWAHXLLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS2/c1-12-8-9-20(27-12)19-10-16(15-6-4-5-7-18(15)24-19)21(26)25-22-17(11-23)13(2)14(3)28-22/h4-10H,1-3H3,(H,25,26).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4137707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).