7-methoxy-4-propan-2-ylcinnoline

C12H14N2O — CID 164758055

IUPAC7-methoxy-4-propan-2-ylcinnoline
SMILESCOc1ccc2c(C(C)C)cnnc2c1
InChIInChI=1S/C12H14N2O/c1-8(2)11-7-13-14-12-6-9(15-3)4-5-10(11)12/h4-8H,1-3H3
InChIKeyQMDQBDBKPMXDHS-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.76
Rot. Bonds2

About 7-methoxy-4-propan-2-ylcinnoline

7-methoxy-4-propan-2-ylcinnoline (PubChem CID 164758055) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 7-methoxy-4-propan-2-ylcinnoline.

Molecular Properties

Compound Name7-methoxy-4-propan-2-ylcinnoline
PubChem CID164758055
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name7-methoxy-4-propan-2-ylcinnoline
SMILESCOc1ccc2c(C(C)C)cnnc2c1
InChIInChI=1S/C12H14N2O/c1-8(2)11-7-13-14-12-6-9(15-3)4-5-10(11)12/h4-8H,1-3H3
InChIKeyQMDQBDBKPMXDHS-UHFFFAOYSA-N
XLogP2.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethoxycinnoline
CID 134989956
4-(4-fluorophenyl)-7-methoxy-3-propan-2-ylquinoline
CID 156880047
4-bromo-6-methoxycinnoline
CID 53415017
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
6-methoxyphthalazin-1-amine
CID 130119690
4-methoxy-2-propan-2-ylbenzenethiol
CID 130435899
5-methoxy-3-propan-2-ylpyridazine
CID 122547241
1-ethenyl-4-methoxy-2-propan-2-ylbenzene
CID 22712642
7-methoxy-1-methylcinnolin-4-one
CID 89165041
6-methoxy-3-propan-2-ylquinolin-2-amine
CID 63232081
1,7-dimethoxyphthalazine
CID 119093543
ethane;5-methoxy-3-propan-2-ylpyridazine
CID 166553087

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-propan-2-ylcinnoline?
The IUPAC name of 7-methoxy-4-propan-2-ylcinnoline (CID 164758055) is 7-methoxy-4-propan-2-ylcinnoline.
What is the SMILES notation for 7-methoxy-4-propan-2-ylcinnoline?
The canonical SMILES for 7-methoxy-4-propan-2-ylcinnoline is COc1ccc2c(C(C)C)cnnc2c1.
What is the InChIKey of 7-methoxy-4-propan-2-ylcinnoline?
The InChIKey is QMDQBDBKPMXDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(2)11-7-13-14-12-6-9(15-3)4-5-10(11)12/h4-8H,1-3H3.
What are the key properties of 7-methoxy-4-propan-2-ylcinnoline?
7-methoxy-4-propan-2-ylcinnoline has a molecular weight of 202.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-propan-2-ylcinnoline is sourced from PubChem (CID 164758055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).