4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one

C24H31N3O5S — CID 55676078

IUPAC4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one
SMILESCC1CCN(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)C2CCCCC12
InChIInChI=1S/C24H31N3O5S/c1-16-8-9-27(22-5-3-2-4-18(16)22)24(29)20-15-23(28)25-21-7-6-17(14-19(20)21)33(30,31)26-10-12-32-13-11-26/h6-7,14-16,18,22H,2-5,8-13H2,1H3,(H,25,28)
InChIKeyHPACXKCSGYALJV-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.59
Rot. Bonds3

About 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one

4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one (PubChem CID 55676078) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one
PubChem CID55676078
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one
SMILESCC1CCN(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)C2CCCCC12
InChIInChI=1S/C24H31N3O5S/c1-16-8-9-27(22-5-3-2-4-18(16)22)24(29)20-15-23(28)25-21-7-6-17(14-19(20)21)33(30,31)26-10-12-32-13-11-26/h6-7,14-16,18,22H,2-5,8-13H2,1H3,(H,25,28)
InChIKeyHPACXKCSGYALJV-UHFFFAOYSA-N
XLogP2.59
TPSA99.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
6-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 20967793
N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55452724
6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 55335721
6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 3422172
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55329648
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8802995
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8803000
6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide
CID 55803029
N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55363513

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one?
The IUPAC name of 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one (CID 55676078) is 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one?
The canonical SMILES for 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one is CC1CCN(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)C2CCCCC12.
What is the InChIKey of 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one?
The InChIKey is HPACXKCSGYALJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-16-8-9-27(22-5-3-2-4-18(16)22)24(29)20-15-23(28)25-21-7-6-17(14-19(20)21)33(30,31)26-10-12-32-13-11-26/h6-7,14-16,18,22H,2-5,8-13H2,1H3,(H,25,28).
What are the key properties of 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one?
4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one has a molecular weight of 473.60 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one is sourced from PubChem (CID 55676078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).