N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

C22H18N2OS — CID 1009474

IUPACN-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1
InChIInChI=1S/C22H18N2OS/c1-14-6-5-7-16(12-14)23-22(25)18-13-20(21-11-10-15(2)26-21)24-19-9-4-3-8-17(18)19/h3-13H,1-2H3,(H,23,25)
InChIKeyVOPJYTARFCAGKE-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.83
Rot. Bonds3

About N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 1009474) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
PubChem CID1009474
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1
InChIInChI=1S/C22H18N2OS/c1-14-6-5-7-16(12-14)23-22(25)18-13-20(21-11-10-15(2)26-21)24-19-9-4-3-8-17(18)19/h3-13H,1-2H3,(H,23,25)
InChIKeyVOPJYTARFCAGKE-UHFFFAOYSA-N
XLogP5.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796
2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 4137703
2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide
CID 15997152
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
CID 19685073
N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
CID 4155187
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4137707
2-(5-chlorothiophen-2-yl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1023167
2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
CID 4657048
N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
CID 745042

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 1009474) is N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is Cc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The InChIKey is VOPJYTARFCAGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-14-6-5-7-16(12-14)23-22(25)18-13-20(21-11-10-15(2)26-21)24-19-9-4-3-8-17(18)19/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1009474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).