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

C21H22ClFN2 — CID 11494167

IUPAC5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C21H22ClFN2/c1-11-9-15(13-5-6-16(23)14-7-8-24-20(13)14)18(22)17-12(2)10-21(3,4)25-19(11)17/h5-9,12,24-25H,10H2,1-4H3
InChIKeyKXMVPYRKURWIPA-UHFFFAOYSA-N
MW356.87 g/mol
LogP6.63
Rot. Bonds1

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

5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (PubChem CID 11494167) has the molecular formula C21H22ClFN2 and a molecular weight of 356.87 g/mol. Its IUPAC name is 5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
PubChem CID11494167
Molecular FormulaC21H22ClFN2
Molecular Weight356.87 g/mol
Exact Mass356.15
IUPAC Name5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C21H22ClFN2/c1-11-9-15(13-5-6-16(23)14-7-8-24-20(13)14)18(22)17-12(2)10-21(3,4)25-19(11)17/h5-9,12,24-25H,10H2,1-4H3
InChIKeyKXMVPYRKURWIPA-UHFFFAOYSA-N
XLogP6.63
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.87
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-chloro-6-(4-fluoro-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
(2R)-4-{6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}-1-(1H-indol-3-yl)butan-2-amine
CID 10237709
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 31
CID 134329288
US10660877, Example 73
CID 134329909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (CID 11494167) is 5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is Cc1cc(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C.
What is the InChIKey of 5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The InChIKey is KXMVPYRKURWIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2/c1-11-9-15(13-5-6-16(23)14-7-8-24-20(13)14)18(22)17-12(2)10-21(3,4)25-19(11)17/h5-9,12,24-25H,10H2,1-4H3.
What are the key properties of 5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline has a molecular weight of 356.87 g/mol, XLogP of 6.63, 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-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 11494167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).