6-methoxy-4-methylquinoline-5-carbonitrile

C12H10N2O — CID 82573234

IUPAC6-methoxy-4-methylquinoline-5-carbonitrile
SMILESCOc1ccc2nccc(C)c2c1C#N
InChIInChI=1S/C12H10N2O/c1-8-5-6-14-10-3-4-11(15-2)9(7-13)12(8)10/h3-6H,1-2H3
InChIKeyDBWBKHQKPCOQGM-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.42
Rot. Bonds1

About 6-methoxy-4-methylquinoline-5-carbonitrile

6-methoxy-4-methylquinoline-5-carbonitrile (PubChem CID 82573234) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-methoxy-4-methylquinoline-5-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-methylquinoline-5-carbonitrile
PubChem CID82573234
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name6-methoxy-4-methylquinoline-5-carbonitrile
SMILESCOc1ccc2nccc(C)c2c1C#N
InChIInChI=1S/C12H10N2O/c1-8-5-6-14-10-3-4-11(15-2)9(7-13)12(8)10/h3-6H,1-2H3
InChIKeyDBWBKHQKPCOQGM-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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Related Compounds

6-methoxyquinoline-5-carbonitrile
CID 603537
ethane;2-methoxy-4-methylpyridine-3-carbonitrile
CID 143628109
5,6,7-trimethoxy-4-methylquinoline
CID 163584599
3-methoxy-2,6-dimethylbenzonitrile
CID 118999351
3-cyano-4-methoxypyridine-2-carboxylic acid
CID 130966526
ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate
CID 68703449
N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide
CID 170856608
4-methyl-2-phosphanylpyridine-3-carbonitrile
CID 169182998
ethane;2-fluoro-3-methoxy-6-methylbenzonitrile
CID 144958009
4-methoxyquinoline;4-methylquinoline
CID 71009048
2-(4-chlorophenyl)sulfanyl-4-methoxypyridine-3-carbonitrile
CID 1470971
2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile
CID 1484341

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methylquinoline-5-carbonitrile?
The IUPAC name of 6-methoxy-4-methylquinoline-5-carbonitrile (CID 82573234) is 6-methoxy-4-methylquinoline-5-carbonitrile.
What is the SMILES notation for 6-methoxy-4-methylquinoline-5-carbonitrile?
The canonical SMILES for 6-methoxy-4-methylquinoline-5-carbonitrile is COc1ccc2nccc(C)c2c1C#N.
What is the InChIKey of 6-methoxy-4-methylquinoline-5-carbonitrile?
The InChIKey is DBWBKHQKPCOQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-8-5-6-14-10-3-4-11(15-2)9(7-13)12(8)10/h3-6H,1-2H3.
What are the key properties of 6-methoxy-4-methylquinoline-5-carbonitrile?
6-methoxy-4-methylquinoline-5-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 6-methoxy-4-methylquinoline-5-carbonitrile is sourced from PubChem (CID 82573234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).