6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide

C26H20N2OS — CID 17260002

IUPAC6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc4ccccc34)c2c1
InChIInChI=1S/C26H20N2OS/c1-16-13-17(2)25-20(14-16)21(15-23(27-25)24-11-6-12-30-24)26(29)28-22-10-5-8-18-7-3-4-9-19(18)22/h3-15H,1-2H3,(H,28,29)
InChIKeySXJOONBWJIVLIX-UHFFFAOYSA-N
MW408.53 g/mol
LogP6.99
Rot. Bonds3

About 6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide

6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 17260002) has the molecular formula C26H20N2OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID17260002
Molecular FormulaC26H20N2OS
Molecular Weight408.53 g/mol
Exact Mass408.13
IUPAC Name6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc4ccccc34)c2c1
InChIInChI=1S/C26H20N2OS/c1-16-13-17(2)25-20(14-16)21(15-23(27-25)24-11-6-12-30-24)26(29)28-22-10-5-8-18-7-3-4-9-19(18)22/h3-15H,1-2H3,(H,28,29)
InChIKeySXJOONBWJIVLIX-UHFFFAOYSA-N
XLogP6.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.53
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of 6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide (CID 17260002) is 6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc4ccccc34)c2c1.
What is the InChIKey of 6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is SXJOONBWJIVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2OS/c1-16-13-17(2)25-20(14-16)21(15-23(27-25)24-11-6-12-30-24)26(29)28-22-10-5-8-18-7-3-4-9-19(18)22/h3-15H,1-2H3,(H,28,29).
What are the key properties of 6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide?
6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 6.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 17260002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).