3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

C22H18N2OS — CID 2168482

IUPAC3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1cccs1
InChIInChI=1S/C22H18N2OS/c1-15-20(22(25)23-14-17-10-7-13-26-17)18-11-5-6-12-19(18)24-21(15)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyCIVKATGEQMQJKU-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.20
Rot. Bonds4

About 3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 2168482) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
PubChem CID2168482
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1cccs1
InChIInChI=1S/C22H18N2OS/c1-15-20(22(25)23-14-17-10-7-13-26-17)18-11-5-6-12-19(18)24-21(15)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyCIVKATGEQMQJKU-UHFFFAOYSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CID 2168482) is 3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1cccs1.
What is the InChIKey of 3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is CIVKATGEQMQJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-15-20(22(25)23-14-17-10-7-13-26-17)18-11-5-6-12-19(18)24-21(15)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of 3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2168482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).