2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

C24H21N3O2S — CID 4075079

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCCOc1ccc(Sc2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O2S/c1-2-29-18-10-12-19(13-11-18)30-23-15-21(20-8-3-4-9-22(20)27-23)24(28)26-16-17-7-5-6-14-25-17/h3-15H,2,16H2,1H3,(H,26,28)
InChIKeyOXNQQYLYZUJKGG-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.11
Rot. Bonds7

About 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 4075079) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
PubChem CID4075079
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCCOc1ccc(Sc2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O2S/c1-2-29-18-10-12-19(13-11-18)30-23-15-21(20-8-3-4-9-22(20)27-23)24(28)26-16-17-7-5-6-14-25-17/h3-15H,2,16H2,1H3,(H,26,28)
InChIKeyOXNQQYLYZUJKGG-UHFFFAOYSA-N
XLogP5.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

alpha-Sulfone piperidine hydroxamate, 11e
CID 44143478
alpha-Sulfone piperidine hydroxamate, 11f
CID 44143480
N-(2-methoxybenzyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3554156
2-(3-methoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 1012146
N-(4-methoxyphenyl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 16432965
N-{2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl}quinoline-5-carboxamide
CID 134303578
N-{2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl}quinoline-5-carboxamide
CID 134303630
N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl}quinoline-5-carboxamide
CID 134303688
N-(2-ethoxyphenyl)-2-(pyridin-2-yl)quinoline-4-carboxamide
CID 2326991
N-(3-methoxyphenyl)-2-(pyridin-2-yl)quinoline-4-carboxamide
CID 2387516
N-[(2-Chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfanyl]quinoline-4-carboxamide
CID 4074990
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-[(4-ethoxyphenyl)sulfanyl]quinoline-4-carboxamide
CID 4074991

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (CID 4075079) is 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is CCOc1ccc(Sc2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is OXNQQYLYZUJKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-2-29-18-10-12-19(13-11-18)30-23-15-21(20-8-3-4-9-22(20)27-23)24(28)26-16-17-7-5-6-14-25-17/h3-15H,2,16H2,1H3,(H,26,28).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 4075079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).