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

C22H25ClN2 — CID 11688929

IUPAC5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline
SMILESCc1cc2cccc(-c3cc(C)c4c(c3Cl)C(C)CC(C)(C)N4)c2[nH]1
InChIInChI=1S/C22H25ClN2/c1-12-9-17(16-8-6-7-15-10-14(3)24-21(15)16)19(23)18-13(2)11-22(4,5)25-20(12)18/h6-10,13,24-25H,11H2,1-5H3
InChIKeyZCTMUXCBNPHOEP-UHFFFAOYSA-N
MW352.91 g/mol
LogP6.80
Rot. Bonds1

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

5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline (PubChem CID 11688929) 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-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline
PubChem CID11688929
Molecular FormulaC22H25ClN2
Molecular Weight352.91 g/mol
Exact Mass352.17
IUPAC Name5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline
SMILESCc1cc2cccc(-c3cc(C)c4c(c3Cl)C(C)CC(C)(C)N4)c2[nH]1
InChIInChI=1S/C22H25ClN2/c1-12-9-17(16-8-6-7-15-10-14(3)24-21(15)16)19(23)18-13(2)11-22(4,5)25-20(12)18/h6-10,13,24-25H,11H2,1-5H3
InChIKeyZCTMUXCBNPHOEP-UHFFFAOYSA-N
XLogP6.80
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.91
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline?
The IUPAC name of 5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline (CID 11688929) is 5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline?
The canonical SMILES for 5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline is Cc1cc2cccc(-c3cc(C)c4c(c3Cl)C(C)CC(C)(C)N4)c2[nH]1.
What is the InChIKey of 5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline?
The InChIKey is ZCTMUXCBNPHOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2/c1-12-9-17(16-8-6-7-15-10-14(3)24-21(15)16)19(23)18-13(2)11-22(4,5)25-20(12)18/h6-10,13,24-25H,11H2,1-5H3.
What are the key properties of 5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline?
5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline has a molecular weight of 352.91 g/mol, XLogP of 6.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 11688929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).