[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate

C22H20ClN3O4S — CID 67297196

IUPAC[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate
SMILESCN(C(=O)OC1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccn1
InChIInChI=1S/C22H20ClN3O4S/c1-25(21-8-4-5-13-24-21)22(27)30-18-14-16-6-2-3-7-20(16)26(15-18)31(28,29)19-11-9-17(23)10-12-19/h2-13,18H,14-15H2,1H3
InChIKeyRVNGAQZTSKVHLN-UHFFFAOYSA-N
MW457.94 g/mol
LogP4.13
Rot. Bonds4

About [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate

[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate (PubChem CID 67297196) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate
PubChem CID67297196
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC Name[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate
SMILESCN(C(=O)OC1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccn1
InChIInChI=1S/C22H20ClN3O4S/c1-25(21-8-4-5-13-24-21)22(27)30-18-14-16-6-2-3-7-20(16)26(15-18)31(28,29)19-11-9-17(23)10-12-19/h2-13,18H,14-15H2,1H3
InChIKeyRVNGAQZTSKVHLN-UHFFFAOYSA-N
XLogP4.13
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate
CID 129382704
[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-(pyridin-4-ylmethyl)carbamate
CID 10161533
[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-3-ylmethyl)carbamate
CID 10298093
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885
4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43910446
[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate
CID 175464845
(2R)-N-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 94019000
(2R)-N-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41178483
4-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43875611
2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 56797616

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate?
The IUPAC name of [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate (CID 67297196) is [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate?
The canonical SMILES for [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate is CN(C(=O)OC1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccn1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate?
The InChIKey is RVNGAQZTSKVHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c1-25(21-8-4-5-13-24-21)22(27)30-18-14-16-6-2-3-7-20(16)26(15-18)31(28,29)19-11-9-17(23)10-12-19/h2-13,18H,14-15H2,1H3.
What are the key properties of [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate?
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate has a molecular weight of 457.94 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate is sourced from PubChem (CID 67297196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).