7-methoxy-4-methylquinoline-2-carbonitrile

C12H10N2O — CID 82573251

IUPAC7-methoxy-4-methylquinoline-2-carbonitrile
SMILESCOc1ccc2c(C)cc(C#N)nc2c1
InChIInChI=1S/C12H10N2O/c1-8-5-9(7-13)14-12-6-10(15-2)3-4-11(8)12/h3-6H,1-2H3
InChIKeyTVOIRCDGZVAINM-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.42
Rot. Bonds1

About 7-methoxy-4-methylquinoline-2-carbonitrile

7-methoxy-4-methylquinoline-2-carbonitrile (PubChem CID 82573251) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 7-methoxy-4-methylquinoline-2-carbonitrile.

Molecular Properties

Compound Name7-methoxy-4-methylquinoline-2-carbonitrile
PubChem CID82573251
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name7-methoxy-4-methylquinoline-2-carbonitrile
SMILESCOc1ccc2c(C)cc(C#N)nc2c1
InChIInChI=1S/C12H10N2O/c1-8-5-9(7-13)14-12-6-10(15-2)3-4-11(8)12/h3-6H,1-2H3
InChIKeyTVOIRCDGZVAINM-UHFFFAOYSA-N
XLogP2.42
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methylquinoline-2-carbonitrile?
The IUPAC name of 7-methoxy-4-methylquinoline-2-carbonitrile (CID 82573251) is 7-methoxy-4-methylquinoline-2-carbonitrile.
What is the SMILES notation for 7-methoxy-4-methylquinoline-2-carbonitrile?
The canonical SMILES for 7-methoxy-4-methylquinoline-2-carbonitrile is COc1ccc2c(C)cc(C#N)nc2c1.
What is the InChIKey of 7-methoxy-4-methylquinoline-2-carbonitrile?
The InChIKey is TVOIRCDGZVAINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-8-5-9(7-13)14-12-6-10(15-2)3-4-11(8)12/h3-6H,1-2H3.
What are the key properties of 7-methoxy-4-methylquinoline-2-carbonitrile?
7-methoxy-4-methylquinoline-2-carbonitrile has a molecular weight of 198.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methylquinoline-2-carbonitrile is sourced from PubChem (CID 82573251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).