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

C21H23ClN2 — CID 11551816

IUPAC5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C21H23ClN2/c1-12-9-15(16-11-23-17-8-6-5-7-14(16)17)19(22)18-13(2)10-21(3,4)24-20(12)18/h5-9,11,13,23-24H,10H2,1-4H3
InChIKeyPFUXODWITQFWRK-UHFFFAOYSA-N
MW338.88 g/mol
LogP6.49
Rot. Bonds1

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

5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (PubChem CID 11551816) has the molecular formula C21H23ClN2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
PubChem CID11551816
Molecular FormulaC21H23ClN2
Molecular Weight338.88 g/mol
Exact Mass338.15
IUPAC Name5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C21H23ClN2/c1-12-9-15(16-11-23-17-8-6-5-7-14(16)17)19(22)18-13(2)10-21(3,4)24-20(12)18/h5-9,11,13,23-24H,10H2,1-4H3
InChIKeyPFUXODWITQFWRK-UHFFFAOYSA-N
XLogP6.49
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.88
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (CID 11551816) is 5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)CC2C.
What is the InChIKey of 5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The InChIKey is PFUXODWITQFWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2/c1-12-9-15(16-11-23-17-8-6-5-7-14(16)17)19(22)18-13(2)10-21(3,4)24-20(12)18/h5-9,11,13,23-24H,10H2,1-4H3.
What are the key properties of 5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline has a molecular weight of 338.88 g/mol, XLogP of 6.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 11551816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).