5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline

C13H19NO2 — CID 84623903

IUPAC5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline
SMILESCOc1cc2c(c(OC)c1)CC(C)(C)CN2
InChIInChI=1S/C13H19NO2/c1-13(2)7-10-11(14-8-13)5-9(15-3)6-12(10)16-4/h5-6,14H,7-8H2,1-4H3
InChIKeyYUVUFEYCTLJXQM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.70
Rot. Bonds2

About 5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline

5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline (PubChem CID 84623903) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline
PubChem CID84623903
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline
SMILESCOc1cc2c(c(OC)c1)CC(C)(C)CN2
InChIInChI=1S/C13H19NO2/c1-13(2)7-10-11(14-8-13)5-9(15-3)6-12(10)16-4/h5-6,14H,7-8H2,1-4H3
InChIKeyYUVUFEYCTLJXQM-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline
CID 154269284
3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline
CID 84720514
4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine
CID 66229916
2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
CID 84628399
6,8-dimethoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 121016424
5,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide
CID 117055383
5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667985
6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene
CID 101436983
7,8-dimethoxy-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 83002503
2-[chloro-(1-methylcyclohexyl)methyl]-1,3,5-trimethoxybenzene
CID 106828424
5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine
CID 175245246
6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline
CID 24797160

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline?
The IUPAC name of 5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline (CID 84623903) is 5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline.
What is the SMILES notation for 5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline?
The canonical SMILES for 5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline is COc1cc2c(c(OC)c1)CC(C)(C)CN2.
What is the InChIKey of 5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline?
The InChIKey is YUVUFEYCTLJXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2)7-10-11(14-8-13)5-9(15-3)6-12(10)16-4/h5-6,14H,7-8H2,1-4H3.
What are the key properties of 5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline?
5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline has a molecular weight of 221.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline is sourced from PubChem (CID 84623903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).