2-ethoxy-1-methyl-3,4-dihydrocinnoline

C11H16N2O — CID 68627296

IUPAC2-ethoxy-1-methyl-3,4-dihydrocinnoline
SMILESCCON1CCc2ccccc2N1C
InChIInChI=1S/C11H16N2O/c1-3-14-13-9-8-10-6-4-5-7-11(10)12(13)2/h4-7H,3,8-9H2,1-2H3
InChIKeyOPZXDCUESVKSJK-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.85
Rot. Bonds2

About 2-ethoxy-1-methyl-3,4-dihydrocinnoline

2-ethoxy-1-methyl-3,4-dihydrocinnoline (PubChem CID 68627296) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-ethoxy-1-methyl-3,4-dihydrocinnoline.

Molecular Properties

Compound Name2-ethoxy-1-methyl-3,4-dihydrocinnoline
PubChem CID68627296
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-ethoxy-1-methyl-3,4-dihydrocinnoline
SMILESCCON1CCc2ccccc2N1C
InChIInChI=1S/C11H16N2O/c1-3-14-13-9-8-10-6-4-5-7-11(10)12(13)2/h4-7H,3,8-9H2,1-2H3
InChIKeyOPZXDCUESVKSJK-UHFFFAOYSA-N
XLogP1.85
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-3,4-dihydrocinnoline
CID 54095235
1-butyl-2,3-dihydroindole
CID 4167209
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62573733
1-(2,3-dihydroindol-1-yl)-N-ethyl-2-methylpropan-2-amine
CID 62834088
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
1-(2,2-dimethylbutyl)-2,3-dihydroindole
CID 167187652
2-(2,3-dihydroindol-1-yl)ethyl acetate
CID 174450799

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methyl-3,4-dihydrocinnoline?
The IUPAC name of 2-ethoxy-1-methyl-3,4-dihydrocinnoline (CID 68627296) is 2-ethoxy-1-methyl-3,4-dihydrocinnoline.
What is the SMILES notation for 2-ethoxy-1-methyl-3,4-dihydrocinnoline?
The canonical SMILES for 2-ethoxy-1-methyl-3,4-dihydrocinnoline is CCON1CCc2ccccc2N1C.
What is the InChIKey of 2-ethoxy-1-methyl-3,4-dihydrocinnoline?
The InChIKey is OPZXDCUESVKSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-14-13-9-8-10-6-4-5-7-11(10)12(13)2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 2-ethoxy-1-methyl-3,4-dihydrocinnoline?
2-ethoxy-1-methyl-3,4-dihydrocinnoline has a molecular weight of 192.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methyl-3,4-dihydrocinnoline is sourced from PubChem (CID 68627296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).