(1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol

C19H18ClF2NO3S — CID 156859072

IUPAC(1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
SMILESCS(=O)(=O)c1ccc(N2CCCc3cc(F)cc(Cl)c32)c2c1[C@H](O)[C@H](F)C2
InChIInChI=1S/C19H18ClF2NO3S/c1-27(25,26)16-5-4-15(12-9-14(22)19(24)17(12)16)23-6-2-3-10-7-11(21)8-13(20)18(10)23/h4-5,7-8,14,19,24H,2-3,6,9H2,1H3/t14-,19-/m1/s1
InChIKeyTVHFSQSWYRXOTL-AUUYWEPGSA-N
MW413.87 g/mol
LogP3.89
Rot. Bonds2

About (1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol

(1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 156859072) has the molecular formula C19H18ClF2NO3S and a molecular weight of 413.87 g/mol. Its IUPAC name is (1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
PubChem CID156859072
Molecular FormulaC19H18ClF2NO3S
Molecular Weight413.87 g/mol
Exact Mass413.07
IUPAC Name(1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
SMILESCS(=O)(=O)c1ccc(N2CCCc3cc(F)cc(Cl)c32)c2c1[C@H](O)[C@H](F)C2
InChIInChI=1S/C19H18ClF2NO3S/c1-27(25,26)16-5-4-15(12-9-14(22)19(24)17(12)16)23-6-2-3-10-7-11(21)8-13(20)18(10)23/h4-5,7-8,14,19,24H,2-3,6,9H2,1H3/t14-,19-/m1/s1
InChIKeyTVHFSQSWYRXOTL-AUUYWEPGSA-N
XLogP3.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol (CID 156859072) is (1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol is CS(=O)(=O)c1ccc(N2CCCc3cc(F)cc(Cl)c32)c2c1[C@H](O)[C@H](F)C2.
What is the InChIKey of (1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is TVHFSQSWYRXOTL-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H18ClF2NO3S/c1-27(25,26)16-5-4-15(12-9-14(22)19(24)17(12)16)23-6-2-3-10-7-11(21)8-13(20)18(10)23/h4-5,7-8,14,19,24H,2-3,6,9H2,1H3/t14-,19-/m1/s1.
What are the key properties of (1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 413.87 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-4-(8-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 156859072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).