(3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol

C21H25FN2O — CID 69467310

IUPAC(3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(-c2cccc3c2NCC3)c(F)c2c1NC(C)(C)[C@H](O)[C@H]2C
InChIInChI=1S/C21H25FN2O/c1-11-10-15(14-7-5-6-13-8-9-23-19(13)14)17(22)16-12(2)20(25)21(3,4)24-18(11)16/h5-7,10,12,20,23-25H,8-9H2,1-4H3/t12-,20+/m0/s1
InChIKeyDGYYBQBNCNFULO-FKIZINRSSA-N
MW340.44 g/mol
LogP4.44
Rot. Bonds1

About (3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol

(3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (PubChem CID 69467310) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.

Molecular Properties

Compound Name(3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
PubChem CID69467310
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(-c2cccc3c2NCC3)c(F)c2c1NC(C)(C)[C@H](O)[C@H]2C
InChIInChI=1S/C21H25FN2O/c1-11-10-15(14-7-5-6-13-8-9-23-19(13)14)17(22)16-12(2)20(25)21(3,4)24-18(11)16/h5-7,10,12,20,23-25H,8-9H2,1-4H3/t12-,20+/m0/s1
InChIKeyDGYYBQBNCNFULO-FKIZINRSSA-N
XLogP4.44
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(3R,4S)-6-(1H-indol-7-yl)-2,2,4,5,8-pentamethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53322300
5-chloro-2,2,4,8-tetramethyl-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-3-ol
CID 69465412
(3R,4S)-5,7,8-trifluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53317031
7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole
CID 166395171
(4S)-5-[2-(3-chloro-2-fluorophenyl)ethynyl]-2,2,4,8-tetramethyl-6-(3-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinolin-3-ol
CID 70986195
(3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 68883161
(3R,4S)-5,7-difluoro-2,2,4-trimethyl-6-(3-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinolin-3-ol
CID 68950784
7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole
CID 97056669
7-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)-2,3-dihydro-1H-indole
CID 76846480
(3R,4S)-2,2,4,8-tetramethyl-6-(3-methyl-1H-indol-7-yl)-5-[2-(5-methylthiophen-2-yl)ethynyl]-3,4-dihydro-1H-quinolin-3-ol
CID 68954852
(4S)-2,2,4,8-tetramethyl-6-(3-methyl-1H-indol-7-yl)-5-[2-(4-methylphenyl)ethynyl]-3,4-dihydro-1H-quinolin-3-ol
CID 70986524
(3R,4S)-2,2,4,8-tetramethyl-6-(3-methyl-1H-indol-7-yl)-5-[2-(5-methylthiophen-3-yl)ethynyl]-3,4-dihydro-1H-quinolin-3-ol
CID 68952082

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The IUPAC name of (3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (CID 69467310) is (3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.
What is the SMILES notation for (3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The canonical SMILES for (3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is Cc1cc(-c2cccc3c2NCC3)c(F)c2c1NC(C)(C)[C@H](O)[C@H]2C.
What is the InChIKey of (3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The InChIKey is DGYYBQBNCNFULO-FKIZINRSSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-11-10-15(14-7-5-6-13-8-9-23-19(13)14)17(22)16-12(2)20(25)21(3,4)24-18(11)16/h5-7,10,12,20,23-25H,8-9H2,1-4H3/t12-,20+/m0/s1.
What are the key properties of (3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
(3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol has a molecular weight of 340.44 g/mol, XLogP of 4.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is sourced from PubChem (CID 69467310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).