[(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate

C23H28ClN3O4S — CID 129382704

IUPAC[(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(C)C(=O)O[C@@H]2Cc3ccccc3N(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C23H28ClN3O4S/c1-25-13-11-19(12-14-25)26(2)23(28)31-20-15-17-5-3-4-6-22(17)27(16-20)32(29,30)21-9-7-18(24)8-10-21/h3-10,19-20H,11-16H2,1-2H3/t20-/m1/s1
InChIKeyIJZBNVQESKQZQA-HXUWFJFHSA-N
MW478.01 g/mol
LogP3.62
Rot. Bonds4

About [(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate

[(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 129382704) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is [(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name[(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate
PubChem CID129382704
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name[(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(C)C(=O)O[C@@H]2Cc3ccccc3N(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C23H28ClN3O4S/c1-25-13-11-19(12-14-25)26(2)23(28)31-20-15-17-5-3-4-6-22(17)27(16-20)32(29,30)21-9-7-18(24)8-10-21/h3-10,19-20H,11-16H2,1-2H3/t20-/m1/s1
InChIKeyIJZBNVQESKQZQA-HXUWFJFHSA-N
XLogP3.62
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate
CID 67297196
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane
CID 67561869
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-butyl-N-[3-(methylamino)propyl]carbamate;propane
CID 142212520
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-(pyridin-4-ylmethyl)carbamate
CID 10161533
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-(pyridin-3-ylmethyl)carbamate
CID 10298093
[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate
CID 10128622
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885
1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68774657
[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate
CID 175464845
(3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine
CID 95182891
N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68769854
3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one
CID 15994572

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of [(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate (CID 129382704) is [(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for [(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for [(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate is CN1CCC(N(C)C(=O)O[C@@H]2Cc3ccccc3N(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of [(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is IJZBNVQESKQZQA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-25-13-11-19(12-14-25)26(2)23(28)31-20-15-17-5-3-4-6-22(17)27(16-20)32(29,30)21-9-7-18(24)8-10-21/h3-10,19-20H,11-16H2,1-2H3/t20-/m1/s1.
What are the key properties of [(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
[(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 478.01 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 129382704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).