ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C25H29N3O3S — CID 45053452

IUPACethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCO.CSc1ccc(C2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C23H23N3O2S.C2H6O/c1-14-20(23(28)26-16-5-4-12-24-13-16)21(15-8-10-17(29-2)11-9-15)22-18(25-14)6-3-7-19(22)27;1-2-3/h4-5,8-13,21,25H,3,6-7H2,1-2H3,(H,26,28);3H,2H2,1H3
InChIKeyJVKOHCBSYKJMDL-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.41
Rot. Bonds4

About ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 45053452) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Nameethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID45053452
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Nameethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCO.CSc1ccc(C2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C23H23N3O2S.C2H6O/c1-14-20(23(28)26-16-5-4-12-24-13-16)21(15-8-10-17(29-2)11-9-15)22-18(25-14)6-3-7-19(22)27;1-2-3/h4-5,8-13,21,25H,3,6-7H2,1-2H3,(H,26,28);3H,2H2,1H3
InChIKeyJVKOHCBSYKJMDL-UHFFFAOYSA-N
XLogP4.41
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

(4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51579766
(4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1309011
2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 171985884
(4R)-2-methyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1223831
2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2901333
2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 23832831
ethyl (4R)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1123195
4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 23917015
ethyl (4S)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 721403
(4S)-N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92844182
(4R)-4-(4-ethoxyphenyl)-N-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1340312
2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-N-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 23832830

Frequently Asked Questions

What is the IUPAC name of ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 45053452) is ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCO.CSc1ccc(C2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1.
What is the InChIKey of ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is JVKOHCBSYKJMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S.C2H6O/c1-14-20(23(28)26-16-5-4-12-24-13-16)21(15-8-10-17(29-2)11-9-15)22-18(25-14)6-3-7-19(22)27;1-2-3/h4-5,8-13,21,25H,3,6-7H2,1-2H3,(H,26,28);3H,2H2,1H3.
What are the key properties of ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 45053452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).