N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide

C25H23N3O2S — CID 1257041

IUPACN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)c1
InChIInChI=1S/C25H23N3O2S/c1-13-9-10-14(2)18(11-13)21-12-19(17-7-5-6-8-20(17)27-21)24(30)28-25-22(23(26)29)15(3)16(4)31-25/h5-12H,1-4H3,(H2,26,29)(H,28,30)
InChIKeyPNCHURFFIQUHRA-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.55
Rot. Bonds4

About N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide

N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 1257041) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide
PubChem CID1257041
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)c1
InChIInChI=1S/C25H23N3O2S/c1-13-9-10-14(2)18(11-13)21-12-19(17-7-5-6-8-20(17)27-21)24(30)28-25-22(23(26)29)15(3)16(4)31-25/h5-12H,1-4H3,(H2,26,29)(H,28,30)
InChIKeyPNCHURFFIQUHRA-UHFFFAOYSA-N
XLogP5.55
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-N-(2,3-DI-ME-PH)-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
CID 615708
3-amino-5-oxo-N-(m-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1322520
N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
3-Amino-2-phenylcarbamoyl-5,6,7,8-tetrahydrothieno-[2,3-b]quinoline
CID 4575187
3-amino-N-(3,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1386900
3-amino-N-(2-ethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1388734
3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 2015058
N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
CID 2525578
3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1011328
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 1358604
N-{3-[butyl(methyl)amino]propyl}-2-thien-2-ylquinoline-4-carboxamide
CID 22422668
3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 709531

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide (CID 1257041) is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide is Cc1ccc(C)c(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)c1.
What is the InChIKey of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is PNCHURFFIQUHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-13-9-10-14(2)18(11-13)21-12-19(17-7-5-6-8-20(17)27-21)24(30)28-25-22(23(26)29)15(3)16(4)31-25/h5-12H,1-4H3,(H2,26,29)(H,28,30).
What are the key properties of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide?
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1257041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).