7,8-dimethylquinoline-5-carbonitrile

C12H10N2 — CID 146049411

IUPAC7,8-dimethylquinoline-5-carbonitrile
SMILESCc1cc(C#N)c2cccnc2c1C
InChIInChI=1S/C12H10N2/c1-8-6-10(7-13)11-4-3-5-14-12(11)9(8)2/h3-6H,1-2H3
InChIKeyZVOACQZMHSCTQR-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.72
Rot. Bonds

About 7,8-dimethylquinoline-5-carbonitrile

7,8-dimethylquinoline-5-carbonitrile (PubChem CID 146049411) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 7,8-dimethylquinoline-5-carbonitrile.

Molecular Properties

Compound Name7,8-dimethylquinoline-5-carbonitrile
PubChem CID146049411
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name7,8-dimethylquinoline-5-carbonitrile
SMILESCc1cc(C#N)c2cccnc2c1C
InChIInChI=1S/C12H10N2/c1-8-6-10(7-13)11-4-3-5-14-12(11)9(8)2/h3-6H,1-2H3
InChIKeyZVOACQZMHSCTQR-UHFFFAOYSA-N
XLogP2.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylquinoline-5-carbonitrile?
The IUPAC name of 7,8-dimethylquinoline-5-carbonitrile (CID 146049411) is 7,8-dimethylquinoline-5-carbonitrile.
What is the SMILES notation for 7,8-dimethylquinoline-5-carbonitrile?
The canonical SMILES for 7,8-dimethylquinoline-5-carbonitrile is Cc1cc(C#N)c2cccnc2c1C.
What is the InChIKey of 7,8-dimethylquinoline-5-carbonitrile?
The InChIKey is ZVOACQZMHSCTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-8-6-10(7-13)11-4-3-5-14-12(11)9(8)2/h3-6H,1-2H3.
What are the key properties of 7,8-dimethylquinoline-5-carbonitrile?
7,8-dimethylquinoline-5-carbonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylquinoline-5-carbonitrile is sourced from PubChem (CID 146049411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).