6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

C21H21ClN2O2S — CID 40719728

IUPAC6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cc(Cl)ccc3n2)s1
InChIInChI=1S/C21H21ClN2O2S/c1-2-15-6-8-20(27-15)19-11-17(16-10-13(22)5-7-18(16)24-19)21(25)23-12-14-4-3-9-26-14/h5-8,10-11,14H,2-4,9,12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyMMYBLOYWNCXNMS-AWEZNQCLSA-N
MW400.93 g/mol
LogP5.09
Rot. Bonds5

About 6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide (PubChem CID 40719728) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
PubChem CID40719728
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cc(Cl)ccc3n2)s1
InChIInChI=1S/C21H21ClN2O2S/c1-2-15-6-8-20(27-15)19-11-17(16-10-13(22)5-7-18(16)24-19)21(25)23-12-14-4-3-9-26-14/h5-8,10-11,14H,2-4,9,12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyMMYBLOYWNCXNMS-AWEZNQCLSA-N
XLogP5.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.93
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2862861
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17023713
6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46291470
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide
CID 31883572
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 133167285
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide (CID 40719728) is 6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cc(Cl)ccc3n2)s1.
What is the InChIKey of 6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The InChIKey is MMYBLOYWNCXNMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-2-15-6-8-20(27-15)19-11-17(16-10-13(22)5-7-18(16)24-19)21(25)23-12-14-4-3-9-26-14/h5-8,10-11,14H,2-4,9,12H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of 6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide has a molecular weight of 400.93 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 40719728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).