7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide

C22H23N3O2S — CID 53137983

IUPAC7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide
SMILESCc1ccc2c(C(=O)NCCc3cccs3)cc(NC(=O)C3CCC3)cc2n1
InChIInChI=1S/C22H23N3O2S/c1-14-7-8-18-19(22(27)23-10-9-17-6-3-11-28-17)12-16(13-20(18)24-14)25-21(26)15-4-2-5-15/h3,6-8,11-13,15H,2,4-5,9-10H2,1H3,(H,23,27)(H,25,26)
InChIKeyUFAXDESPYLYOLD-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.32
Rot. Bonds6

About 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide

7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide (PubChem CID 53137983) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide.

Molecular Properties

Compound Name7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide
PubChem CID53137983
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide
SMILESCc1ccc2c(C(=O)NCCc3cccs3)cc(NC(=O)C3CCC3)cc2n1
InChIInChI=1S/C22H23N3O2S/c1-14-7-8-18-19(22(27)23-10-9-17-6-3-11-28-17)12-16(13-20(18)24-14)25-21(26)15-4-2-5-15/h3,6-8,11-13,15H,2,4-5,9-10H2,1H3,(H,23,27)(H,25,26)
InChIKeyUFAXDESPYLYOLD-UHFFFAOYSA-N
XLogP4.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide
CID 53137977
7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid
CID 90488075
N-[2-methyl-5-(pyrrolidine-1-carbonyl)quinolin-7-yl]cyclopropanecarboxamide
CID 53137966
N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide
CID 53137967
4-hydrazinyl-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81256558
2-[1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3690110
N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 35705578
6-methyl-4-(propylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81238896
6-methyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3757231
1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133304116
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide?
The IUPAC name of 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide (CID 53137983) is 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide.
What is the SMILES notation for 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide?
The canonical SMILES for 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide is Cc1ccc2c(C(=O)NCCc3cccs3)cc(NC(=O)C3CCC3)cc2n1.
What is the InChIKey of 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide?
The InChIKey is UFAXDESPYLYOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14-7-8-18-19(22(27)23-10-9-17-6-3-11-28-17)12-16(13-20(18)24-14)25-21(26)15-4-2-5-15/h3,6-8,11-13,15H,2,4-5,9-10H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide?
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide is sourced from PubChem (CID 53137983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).