N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide

C23H31N3O5S — CID 20968769

IUPACN-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
SMILESCC1CCCC(NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)C1C
InChIInChI=1S/C23H31N3O5S/c1-15-5-4-6-20(16(15)2)24-23(28)19-14-25(3)21-8-7-17(13-18(21)22(19)27)32(29,30)26-9-11-31-12-10-26/h7-8,13-16,20H,4-6,9-12H2,1-3H3,(H,24,28)
InChIKeyRHTLEDBBCUBDDR-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.11
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide

N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide (PubChem CID 20968769) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
PubChem CID20968769
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
SMILESCC1CCCC(NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)C1C
InChIInChI=1S/C23H31N3O5S/c1-15-5-4-6-20(16(15)2)24-23(28)19-14-25(3)21-8-7-17(13-18(21)22(19)27)32(29,30)26-9-11-31-12-10-26/h7-8,13-16,20H,4-6,9-12H2,1-3H3,(H,24,28)
InChIKeyRHTLEDBBCUBDDR-UHFFFAOYSA-N
XLogP2.11
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859157
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide
CID 124904503
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 26744296
6-(azepan-1-ylsulfonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 98463412
methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate
CID 3514261
1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 20859121
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702
2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 25162143
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 11919996
6-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-4-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 20968772
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51548567
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 41166690

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide (CID 20968769) is N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide is CC1CCCC(NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
The InChIKey is RHTLEDBBCUBDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-15-5-4-6-20(16(15)2)24-23(28)19-14-25(3)21-8-7-17(13-18(21)22(19)27)32(29,30)26-9-11-31-12-10-26/h7-8,13-16,20H,4-6,9-12H2,1-3H3,(H,24,28).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide has a molecular weight of 461.58 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 20968769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).