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

C21H22Cl2N2 — CID 11617684

IUPAC5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2cc(Cl)cc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C21H22Cl2N2/c1-11-7-15(16-9-14(22)8-13-5-6-24-20(13)16)18(23)17-12(2)10-21(3,4)25-19(11)17/h5-9,12,24-25H,10H2,1-4H3
InChIKeyTVKQINGZQAQVCA-UHFFFAOYSA-N
MW373.33 g/mol
LogP7.15
Rot. Bonds1

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

5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (PubChem CID 11617684) has the molecular formula C21H22Cl2N2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
PubChem CID11617684
Molecular FormulaC21H22Cl2N2
Molecular Weight373.33 g/mol
Exact Mass372.12
IUPAC Name5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2cc(Cl)cc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C21H22Cl2N2/c1-11-7-15(16-9-14(22)8-13-5-6-24-20(13)16)18(23)17-12(2)10-21(3,4)25-19(11)17/h5-9,12,24-25H,10H2,1-4H3
InChIKeyTVKQINGZQAQVCA-UHFFFAOYSA-N
XLogP7.15
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.33
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (CID 11617684) is 5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is Cc1cc(-c2cc(Cl)cc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C.
What is the InChIKey of 5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The InChIKey is TVKQINGZQAQVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2/c1-11-7-15(16-9-14(22)8-13-5-6-24-20(13)16)18(23)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-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline has a molecular weight of 373.33 g/mol, XLogP of 7.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 11617684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).