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

C22H25ClN2 — CID 11617298

IUPAC5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2cccc3ccn(C)c23)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C22H25ClN2/c1-13-11-17(16-8-6-7-15-9-10-25(5)21(15)16)19(23)18-14(2)12-22(3,4)24-20(13)18/h6-11,14,24H,12H2,1-5H3
InChIKeyXYAPBFRUZQERGJ-UHFFFAOYSA-N
MW352.91 g/mol
LogP6.50
Rot. Bonds1

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

5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline (PubChem CID 11617298) has the molecular formula C22H25ClN2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline
PubChem CID11617298
Molecular FormulaC22H25ClN2
Molecular Weight352.91 g/mol
Exact Mass352.17
IUPAC Name5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2cccc3ccn(C)c23)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C22H25ClN2/c1-13-11-17(16-8-6-7-15-9-10-25(5)21(15)16)19(23)18-14(2)12-22(3,4)24-20(13)18/h6-11,14,24H,12H2,1-5H3
InChIKeyXYAPBFRUZQERGJ-UHFFFAOYSA-N
XLogP6.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.91
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline?
The IUPAC name of 5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline (CID 11617298) is 5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline?
The canonical SMILES for 5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline is Cc1cc(-c2cccc3ccn(C)c23)c(Cl)c2c1NC(C)(C)CC2C.
What is the InChIKey of 5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline?
The InChIKey is XYAPBFRUZQERGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2/c1-13-11-17(16-8-6-7-15-9-10-25(5)21(15)16)19(23)18-14(2)12-22(3,4)24-20(13)18/h6-11,14,24H,12H2,1-5H3.
What are the key properties of 5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline?
5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline has a molecular weight of 352.91 g/mol, XLogP of 6.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,4,8-tetramethyl-6-(1-methylindol-7-yl)-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 11617298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).