7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline

C13H16N2O3 — CID 143534314

IUPAC7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline
SMILESCOCCOc1cc2c(C)cnnc2cc1OC
InChIInChI=1S/C13H16N2O3/c1-9-8-14-15-11-7-12(17-3)13(6-10(9)11)18-5-4-16-2/h6-8H,4-5H2,1-3H3
InChIKeyIIJVZCFWXHQYLQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.97
Rot. Bonds5

About 7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline

7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline (PubChem CID 143534314) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline.

Molecular Properties

Compound Name7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline
PubChem CID143534314
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline
SMILESCOCCOc1cc2c(C)cnnc2cc1OC
InChIInChI=1S/C13H16N2O3/c1-9-8-14-15-11-7-12(17-3)13(6-10(9)11)18-5-4-16-2/h6-8H,4-5H2,1-3H3
InChIKeyIIJVZCFWXHQYLQ-UHFFFAOYSA-N
XLogP1.97
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-4-methylcinnoline;propane
CID 163274775
N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide
CID 59026374
2-chloro-6-methoxy-7-(2-methoxyethoxy)quinoxaline
CID 142746011
6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline
CID 11675601
1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene
CID 20785388
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285
4-bromo-7-methoxy-6-methylcinnoline
CID 53415018
4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline
CID 68954929
1,4-dimethoxy-2-(2-methoxyethoxy)benzene
CID 132577892
6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
CID 149497994
4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride
CID 155235624
4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline?
The IUPAC name of 7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline (CID 143534314) is 7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline.
What is the SMILES notation for 7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline?
The canonical SMILES for 7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline is COCCOc1cc2c(C)cnnc2cc1OC.
What is the InChIKey of 7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline?
The InChIKey is IIJVZCFWXHQYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-8-14-15-11-7-12(17-3)13(6-10(9)11)18-5-4-16-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline?
7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline has a molecular weight of 248.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline is sourced from PubChem (CID 143534314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).