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

C21H21ClF2N2 — CID 11566981

IUPAC5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2cc(F)c(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C21H21ClF2N2/c1-10-7-13(14-8-15(23)18(24)12-5-6-25-20(12)14)17(22)16-11(2)9-21(3,4)26-19(10)16/h5-8,11,25-26H,9H2,1-4H3
InChIKeyPYHAWYQXRVXAHX-UHFFFAOYSA-N
MW374.86 g/mol
LogP6.77
Rot. Bonds1

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

5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (PubChem CID 11566981) has the molecular formula C21H21ClF2N2 and a molecular weight of 374.86 g/mol. Its IUPAC name is 5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
PubChem CID11566981
Molecular FormulaC21H21ClF2N2
Molecular Weight374.86 g/mol
Exact Mass374.14
IUPAC Name5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2cc(F)c(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C21H21ClF2N2/c1-10-7-13(14-8-15(23)18(24)12-5-6-25-20(12)14)17(22)16-11(2)9-21(3,4)26-19(10)16/h5-8,11,25-26H,9H2,1-4H3
InChIKeyPYHAWYQXRVXAHX-UHFFFAOYSA-N
XLogP6.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.86
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

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Related Compounds

5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline
CID 118449872
4-Quinolinamine, 7-chloro-N-[3-[[(1,1-dimethylethyl)amino]methyl]-4-fluorophenyl]-
CID 9820134
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
6-chloro-5-methyl-N-quinolin-4-yl-2,3-dihydroindole-1-carboxamide
CID 6603999
5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydroquinoline
CID 11617028
5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 11631740
5-chloro-6-(5-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11631784
7-chloro-N-[[3-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44820000
US10660877, Example 73
CID 134329909
5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-2,3-dihydroquinolin-4(1H)-one O-isopropyl oxime
CID 136088946
5,7-difluoro-6-(1H-indol-7-yl)-2,2-dimethyl-2,3-dihydroquinolin-4(1H)-one O-ethyl oxime
CID 136088952

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (CID 11566981) is 5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is Cc1cc(-c2cc(F)c(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C.
What is the InChIKey of 5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The InChIKey is PYHAWYQXRVXAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N2/c1-10-7-13(14-8-15(23)18(24)12-5-6-25-20(12)14)17(22)16-11(2)9-21(3,4)26-19(10)16/h5-8,11,25-26H,9H2,1-4H3.
What are the key properties of 5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline has a molecular weight of 374.86 g/mol, XLogP of 6.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 11566981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).