2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

C19H17ClN2O2S — CID 2862861

IUPAC2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C19H17ClN2O2S/c20-18-8-7-17(25-18)16-10-14(13-5-1-2-6-15(13)22-16)19(23)21-11-12-4-3-9-24-12/h1-2,5-8,10,12H,3-4,9,11H2,(H,21,23)
InChIKeyJWMSDPFSZHAAIS-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.53
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 2862861) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
PubChem CID2862861
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C19H17ClN2O2S/c20-18-8-7-17(25-18)16-10-14(13-5-1-2-6-15(13)22-16)19(23)21-11-12-4-3-9-24-12/h1-2,5-8,10,12H,3-4,9,11H2,(H,21,23)
InChIKeyJWMSDPFSZHAAIS-UHFFFAOYSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
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
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 40719728
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1028519
1-(oxolan-2-ylmethyl)-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiourea
CID 17375034
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
2-(5-chlorothiophen-2-yl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]quinoline-4-carboxamide
CID 22110368
2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 5074065

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (CID 2862861) is 2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is O=C(NCC1CCCO1)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is JWMSDPFSZHAAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c20-18-8-7-17(25-18)16-10-14(13-5-1-2-6-15(13)22-16)19(23)21-11-12-4-3-9-24-12/h1-2,5-8,10,12H,3-4,9,11H2,(H,21,23).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2862861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).