6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide

C20H19ClN2O3S — CID 55474224

IUPAC6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H19ClN2O3S/c1-12(14-4-7-17(8-5-14)27(3,25)26)23-20(24)18-11-15-10-16(21)6-9-19(15)22-13(18)2/h4-12H,1-3H3,(H,23,24)
InChIKeyXRZGGBSGKYACGH-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.09
Rot. Bonds4

About 6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide

6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide (PubChem CID 55474224) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide
PubChem CID55474224
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H19ClN2O3S/c1-12(14-4-7-17(8-5-14)27(3,25)26)23-20(24)18-11-15-10-16(21)6-9-19(15)22-13(18)2/h4-12H,1-3H3,(H,23,24)
InChIKeyXRZGGBSGKYACGH-UHFFFAOYSA-N
XLogP4.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 51247083
4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide
CID 133165871
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17497230
3,4,5,6-tetrachloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 26468278
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51646933
2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
CID 51257751
2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855780
N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46665827
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 134021169

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide?
The IUPAC name of 6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide (CID 55474224) is 6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide?
The InChIKey is XRZGGBSGKYACGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-12(14-4-7-17(8-5-14)27(3,25)26)23-20(24)18-11-15-10-16(21)6-9-19(15)22-13(18)2/h4-12H,1-3H3,(H,23,24).
What are the key properties of 6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide?
6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide has a molecular weight of 402.90 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 55474224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).