2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide

C23H25N3O4S — CID 110251822

IUPAC2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1cc(C2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)nc2ccccc12
InChIInChI=1S/C23H25N3O4S/c1-15-8-9-17(12-16(15)2)31(28,29)26-10-11-30-22(14-26)21-13-19(23(27)24-3)18-6-4-5-7-20(18)25-21/h4-9,12-13,22H,10-11,14H2,1-3H3,(H,24,27)
InChIKeyYTBFLKUQDFNJBX-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.97
Rot. Bonds4

About 2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide

2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide (PubChem CID 110251822) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide
PubChem CID110251822
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1cc(C2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)nc2ccccc12
InChIInChI=1S/C23H25N3O4S/c1-15-8-9-17(12-16(15)2)31(28,29)26-10-11-30-22(14-26)21-13-19(23(27)24-3)18-6-4-5-7-20(18)25-21/h4-9,12-13,22H,10-11,14H2,1-3H3,(H,24,27)
InChIKeyYTBFLKUQDFNJBX-UHFFFAOYSA-N
XLogP2.97
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92638338
N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638945
N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92639052
2-[(2R)-4-methylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638375
2-[(2R)-4-(diethylsulfamoyl)morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638952
2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638686
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242
6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 127249177
2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 92638434
N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide
CID 92638356
N-propan-2-yl-2-(4-pyrimidin-2-ylmorpholin-2-yl)quinoline-4-carboxamide
CID 110251927
3-[(2R)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 164708175

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide (CID 110251822) is 2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide is CNC(=O)c1cc(C2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)nc2ccccc12.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide?
The InChIKey is YTBFLKUQDFNJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-15-8-9-17(12-16(15)2)31(28,29)26-10-11-30-22(14-26)21-13-19(23(27)24-3)18-6-4-5-7-20(18)25-21/h4-9,12-13,22H,10-11,14H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide?
2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 110251822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).