[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone

C20H16BrClN2O4S — CID 71686404

IUPAC[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C20H16BrClN2O4S/c21-13-1-4-15(5-2-13)29(26,27)19-16-11-14(22)3-6-18(16)23-12-17(19)20(25)24-7-9-28-10-8-24/h1-6,11-12H,7-10H2
InChIKeySFSCWHPQYPKFHU-UHFFFAOYSA-N
MW495.78 g/mol
LogP3.96
Rot. Bonds3

About [4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone

[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 71686404) has the molecular formula C20H16BrClN2O4S and a molecular weight of 495.78 g/mol. Its IUPAC name is [4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID71686404
Molecular FormulaC20H16BrClN2O4S
Molecular Weight495.78 g/mol
Exact Mass493.97
IUPAC Name[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C20H16BrClN2O4S/c21-13-1-4-15(5-2-13)29(26,27)19-16-11-14(22)3-6-18(16)23-12-17(19)20(25)24-7-9-28-10-8-24/h1-6,11-12H,7-10H2
InChIKeySFSCWHPQYPKFHU-UHFFFAOYSA-N
XLogP3.96
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.78
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-chloro-4-(3,5-dimethylphenyl)sulfonylquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 71686414
[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001765
(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
CID 83290736
[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333971
[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333943
[4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
CID 50757611
[6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333938
4-[6-fluoro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]sulfonylbenzonitrile
CID 46274940
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid
CID 166645341
[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone
CID 2137534
4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65372749

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone (CID 71686404) is [4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone is O=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of [4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is SFSCWHPQYPKFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O4S/c21-13-1-4-15(5-2-13)29(26,27)19-16-11-14(22)3-6-18(16)23-12-17(19)20(25)24-7-9-28-10-8-24/h1-6,11-12H,7-10H2.
What are the key properties of [4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone?
[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 495.78 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71686404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).