N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide

C24H22N2OS — CID 46098919

IUPACN-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccccc3)c2cc1C
InChIInChI=1S/C24H22N2OS/c1-16-12-19-20(24(27)26(3)15-18-8-5-4-6-9-18)14-22(23-10-7-11-28-23)25-21(19)13-17(16)2/h4-14H,15H2,1-3H3
InChIKeyPDDGXZZUNCBTDP-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.85
Rot. Bonds4

About N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide

N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 46098919) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID46098919
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC NameN-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccccc3)c2cc1C
InChIInChI=1S/C24H22N2OS/c1-16-12-19-20(24(27)26(3)15-18-8-5-4-6-9-18)14-22(23-10-7-11-28-23)25-21(19)13-17(16)2/h4-14H,15H2,1-3H3
InChIKeyPDDGXZZUNCBTDP-UHFFFAOYSA-N
XLogP5.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 46098919) is N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide is Cc1cc2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccccc3)c2cc1C.
What is the InChIKey of N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is PDDGXZZUNCBTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-16-12-19-20(24(27)26(3)15-18-8-5-4-6-9-18)14-22(23-10-7-11-28-23)25-21(19)13-17(16)2/h4-14H,15H2,1-3H3.
What are the key properties of N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,6,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 46098919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).