1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone

C22H25ClN2O5S — CID 39137546

IUPAC1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCc3cc(Cl)ccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H25ClN2O5S/c1-29-20-7-4-16(13-21(20)31(27,28)24-9-11-30-12-10-24)14-22(26)25-8-2-3-17-15-18(23)5-6-19(17)25/h4-7,13,15H,2-3,8-12,14H2,1H3
InChIKeyLYQNVHVUZJGRJP-UHFFFAOYSA-N
MW464.97 g/mol
LogP2.89
Rot. Bonds5

About 1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone

1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 39137546) has the molecular formula C22H25ClN2O5S and a molecular weight of 464.97 g/mol. Its IUPAC name is 1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID39137546
Molecular FormulaC22H25ClN2O5S
Molecular Weight464.97 g/mol
Exact Mass464.12
IUPAC Name1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCc3cc(Cl)ccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H25ClN2O5S/c1-29-20-7-4-16(13-21(20)31(27,28)24-9-11-30-12-10-24)14-22(26)25-8-2-3-17-15-18(23)5-6-19(17)25/h4-7,13,15H,2-3,8-12,14H2,1H3
InChIKeyLYQNVHVUZJGRJP-UHFFFAOYSA-N
XLogP2.89
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.97
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone with MolForge

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Related Compounds

4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258880
1-[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
CID 98188587
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
CID 42894242
(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
CID 7213290
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110316227
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453904
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone (CID 39137546) is 1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone is COc1ccc(CC(=O)N2CCCc3cc(Cl)ccc32)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is LYQNVHVUZJGRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O5S/c1-29-20-7-4-16(13-21(20)31(27,28)24-9-11-30-12-10-24)14-22(26)25-8-2-3-17-15-18(23)5-6-19(17)25/h4-7,13,15H,2-3,8-12,14H2,1H3.
What are the key properties of 1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone?
1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 464.97 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 39137546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).