(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone

C23H21ClN2O3S2 — CID 55610161

IUPAC(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCc2ccccc2C1)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C23H21ClN2O3S2/c24-19-7-8-20-17(14-19)6-3-11-26(20)23(27)22-21(10-13-30-22)31(28,29)25-12-9-16-4-1-2-5-18(16)15-25/h1-2,4-5,7-8,10,13-14H,3,6,9,11-12,15H2
InChIKeyYBTQAASUCHDOQO-UHFFFAOYSA-N
MW473.02 g/mol
LogP4.74
Rot. Bonds3

About (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone

(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone (PubChem CID 55610161) has the molecular formula C23H21ClN2O3S2 and a molecular weight of 473.02 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone
PubChem CID55610161
Molecular FormulaC23H21ClN2O3S2
Molecular Weight473.02 g/mol
Exact Mass472.07
IUPAC Name(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCc2ccccc2C1)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C23H21ClN2O3S2/c24-19-7-8-20-17(14-19)6-3-11-26(20)23(27)22-21(10-13-30-22)31(28,29)25-12-9-16-4-1-2-5-18(16)15-25/h1-2,4-5,7-8,10,13-14H,3,6,9,11-12,15H2
InChIKeyYBTQAASUCHDOQO-UHFFFAOYSA-N
XLogP4.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone with MolForge

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Related Compounds

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55522961
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30664840
cyclopentyl-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]piperazin-1-yl]methanone
CID 55566820
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propan-2-ylthiophene-2-carboxamide
CID 46532010
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 112833779
N'-(2-chlorobenzoyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbohydrazide
CID 55489045
N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 51297984
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethyl-N-methylthiophene-2-carboxamide
CID 134005763
3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]propanoic acid
CID 119177536
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2128055
(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone
CID 86929717
3,4-dihydro-1H-isoquinolin-2-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 51284581

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone (CID 55610161) is (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone is O=C(c1sccc1S(=O)(=O)N1CCc2ccccc2C1)N1CCCc2cc(Cl)ccc21.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone?
The InChIKey is YBTQAASUCHDOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3S2/c24-19-7-8-20-17(14-19)6-3-11-26(20)23(27)22-21(10-13-30-22)31(28,29)25-12-9-16-4-1-2-5-18(16)15-25/h1-2,4-5,7-8,10,13-14H,3,6,9,11-12,15H2.
What are the key properties of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone?
(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone has a molecular weight of 473.02 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone is sourced from PubChem (CID 55610161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).