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

C22H25ClN2O — CID 11703401

IUPAC5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCOc1ccc(-c2cc(C)c3c(c2Cl)C(C)CC(C)(C)N3)c2[nH]ccc12
InChIInChI=1S/C22H25ClN2O/c1-12-10-16(14-6-7-17(26-5)15-8-9-24-21(14)15)19(23)18-13(2)11-22(3,4)25-20(12)18/h6-10,13,24-25H,11H2,1-5H3
InChIKeyNZGNOGXYEWYRJB-UHFFFAOYSA-N
MW368.91 g/mol
LogP6.50
Rot. Bonds2

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

5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (PubChem CID 11703401) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
PubChem CID11703401
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCOc1ccc(-c2cc(C)c3c(c2Cl)C(C)CC(C)(C)N3)c2[nH]ccc12
InChIInChI=1S/C22H25ClN2O/c1-12-10-16(14-6-7-17(26-5)15-8-9-24-21(14)15)19(23)18-13(2)11-22(3,4)25-20(12)18/h6-10,13,24-25H,11H2,1-5H3
InChIKeyNZGNOGXYEWYRJB-UHFFFAOYSA-N
XLogP6.50
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (CID 11703401) is 5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is COc1ccc(-c2cc(C)c3c(c2Cl)C(C)CC(C)(C)N3)c2[nH]ccc12.
What is the InChIKey of 5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The InChIKey is NZGNOGXYEWYRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-12-10-16(14-6-7-17(26-5)15-8-9-24-21(14)15)19(23)18-13(2)11-22(3,4)25-20(12)18/h6-10,13,24-25H,11H2,1-5H3.
What are the key properties of 5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline has a molecular weight of 368.91 g/mol, XLogP of 6.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 11703401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).