4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine

C27H32ClN3O2 — CID 50939994

IUPAC4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine
SMILESCOc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)c(C)c43)c2cc1Cl
InChIInChI=1S/C27H32ClN3O2/c1-16-18(3)29-22-14-24(32-6)21(28)13-19(22)25(16)31-15-27(4,5)20-7-8-23(17(2)26(20)31)30-9-11-33-12-10-30/h7-8,13-14H,9-12,15H2,1-6H3
InChIKeyNTYNSNBSBHMAME-UHFFFAOYSA-N
MW466.03 g/mol
LogP6.09
Rot. Bonds3

About 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine

4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine (PubChem CID 50939994) has the molecular formula C27H32ClN3O2 and a molecular weight of 466.03 g/mol. Its IUPAC name is 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine
PubChem CID50939994
Molecular FormulaC27H32ClN3O2
Molecular Weight466.03 g/mol
Exact Mass465.22
IUPAC Name4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine
SMILESCOc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)c(C)c43)c2cc1Cl
InChIInChI=1S/C27H32ClN3O2/c1-16-18(3)29-22-14-24(32-6)21(28)13-19(22)25(16)31-15-27(4,5)20-7-8-23(17(2)26(20)31)30-9-11-33-12-10-30/h7-8,13-14H,9-12,15H2,1-6H3
InChIKeyNTYNSNBSBHMAME-UHFFFAOYSA-N
XLogP6.09
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.03
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

8-Chloro-1-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 2815160
US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-methoxy-2,3,6-trimethylquinoline
CID 50940457
US8765940, 6-chloro-4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-methoxy-2,3-dimethylquinoline
CID 50940458
6-Bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]
CID 67285013
(E)-3-(6-chloro-7-methoxy-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol
CID 73357073
US8765940, 6-chloro-4-(4-methoxy-6-(4-morpholinyl)-1H-indol-1-yl)-2,3-dimethylquinoline
CID 50939472
US8765940, 6-chloro-4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-2-(2-methoxyphenyl)quinoline
CID 50940454
1-(6-Chloro-7-methoxy-2,3-dimethyl-4-quinolinyl)-1,2,2',3',5',6'-hexahydrospiro[indole-3,4'-pyran]-6-carbonitrile
CID 67285125
1-[6-Chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dibutylamino)ethanol
CID 90669177
1-[6-Chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol
CID 90669178
[8-(6-Chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-lambda6-sulfane
CID 170250653
3-Chloro-9-methyl-6,9-dihydroquinolino[2',3':4,5]pyrano[2,3-b]carbazole
CID 129844888

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine (CID 50939994) is 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine is COc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)c(C)c43)c2cc1Cl.
What is the InChIKey of 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine?
The InChIKey is NTYNSNBSBHMAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O2/c1-16-18(3)29-22-14-24(32-6)21(28)13-19(22)25(16)31-15-27(4,5)20-7-8-23(17(2)26(20)31)30-9-11-33-12-10-30/h7-8,13-14H,9-12,15H2,1-6H3.
What are the key properties of 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine?
4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine has a molecular weight of 466.03 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3,7-trimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50939994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).