4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile

C14H15N3 — CID 82573342

IUPAC4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile
SMILESCc1cc(N(C)C)c2cc(C#N)cc(C)c2n1
InChIInChI=1S/C14H15N3/c1-9-5-11(8-15)7-12-13(17(3)4)6-10(2)16-14(9)12/h5-7H,1-4H3
InChIKeyVUKDHAVRTOMRJB-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.79
Rot. Bonds1

About 4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile

4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile (PubChem CID 82573342) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile
PubChem CID82573342
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile
SMILESCc1cc(N(C)C)c2cc(C#N)cc(C)c2n1
InChIInChI=1S/C14H15N3/c1-9-5-11(8-15)7-12-13(17(3)4)6-10(2)16-14(9)12/h5-7H,1-4H3
InChIKeyVUKDHAVRTOMRJB-UHFFFAOYSA-N
XLogP2.79
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile (CID 82573342) is 4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile is Cc1cc(N(C)C)c2cc(C#N)cc(C)c2n1.
What is the InChIKey of 4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile?
The InChIKey is VUKDHAVRTOMRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-9-5-11(8-15)7-12-13(17(3)4)6-10(2)16-14(9)12/h5-7H,1-4H3.
What are the key properties of 4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile?
4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile is sourced from PubChem (CID 82573342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).