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

C21H23ClN2O — CID 11631740

IUPAC5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(O)C2C
InChIInChI=1S/C21H23ClN2O/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/h5-10,12,20,23-25H,1-4H3
InChIKeyYFJZCMOHVUUOJJ-UHFFFAOYSA-N
MW354.88 g/mol
LogP5.47
Rot. Bonds1

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

5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (PubChem CID 11631740) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.

Molecular Properties

Compound Name5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
PubChem CID11631740
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(O)C2C
InChIInChI=1S/C21H23ClN2O/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/h5-10,12,20,23-25H,1-4H3
InChIKeyYFJZCMOHVUUOJJ-UHFFFAOYSA-N
XLogP5.47
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

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Related Compounds

(R)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 9927453
1-(3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11324939
5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydroquinoline
CID 11617028
5-chloro-6-(5-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11631784
(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-3-ol
CID 51346823
(3R,4S)-6-(1H-indol-7-yl)-2,2,4,5,8-pentamethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53322300
(3R,4S)-7-fluoro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53323657
rac-5,7-difluoro-3-hydroxy-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-2,3-dihydroquinolin-4(1H)-one O-ethyl oxime
CID 136000568
6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-3-hydroxy-2,2-dimethyl-2,3-dihydroquinolin-4(1H)-one O-methyl oxime
CID 136088947
(3R,4S)-6-(1H-indol-7-yl)-5-[(E)-methoxyiminomethyl]-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53326228
(3R,4S)-5-[(E)-ethoxyiminomethyl]-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53326229
(3R,4S)-8-chloro-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53326232

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The IUPAC name of 5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (CID 11631740) is 5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.
What is the SMILES notation for 5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The canonical SMILES for 5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(O)C2C.
What is the InChIKey of 5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The InChIKey is YFJZCMOHVUUOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/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/h5-10,12,20,23-25H,1-4H3.
What are the key properties of 5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol has a molecular weight of 354.88 g/mol, XLogP of 5.47, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is sourced from PubChem (CID 11631740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).