(3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C20H18N2O4S — CID 71911434

IUPAC(3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1c(O)cnc2ccccc12
InChIInChI=1S/C20H18N2O4S/c1-27(25,26)14-8-9-17-13(11-14)5-4-10-22(17)20(24)19-15-6-2-3-7-16(15)21-12-18(19)23/h2-3,6-9,11-12,23H,4-5,10H2,1H3
InChIKeyVNRCFJQIIPITCH-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.94
Rot. Bonds2

About (3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 71911434) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is (3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID71911434
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name(3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1c(O)cnc2ccccc12
InChIInChI=1S/C20H18N2O4S/c1-27(25,26)14-8-9-17-13(11-14)5-4-10-22(17)20(24)19-15-6-2-3-7-16(15)21-12-18(19)23/h2-3,6-9,11-12,23H,4-5,10H2,1H3
InChIKeyVNRCFJQIIPITCH-UHFFFAOYSA-N
XLogP2.94
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone 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

(2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60530096
(4-bromo-2,5-dimethylfuran-3-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872666
[4-(benzenesulfonylmethyl)phenyl]-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55873828
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 154737874
(E)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one
CID 55661641
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
(E)-3-(1,3-benzothiazol-2-yl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 60530125
(4-chloro-2-iodophenyl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55874081
2-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 55661378
N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 71890437
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 71911434) is (3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1c(O)cnc2ccccc12.
What is the InChIKey of (3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is VNRCFJQIIPITCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-27(25,26)14-8-9-17-13(11-14)5-4-10-22(17)20(24)19-15-6-2-3-7-16(15)21-12-18(19)23/h2-3,6-9,11-12,23H,4-5,10H2,1H3.
What are the key properties of (3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 382.44 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 71911434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).