1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile

C14H14N2O — CID 84625068

IUPAC1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile
SMILESCc1cc(C)c2c(C)c(C#N)c(=O)n(C)c2c1
InChIInChI=1S/C14H14N2O/c1-8-5-9(2)13-10(3)11(7-15)14(17)16(4)12(13)6-8/h5-6H,1-4H3
InChIKeyHNGIQQTWLWATSL-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.34
Rot. Bonds

About 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile

1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile (PubChem CID 84625068) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile
PubChem CID84625068
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile
SMILESCc1cc(C)c2c(C)c(C#N)c(=O)n(C)c2c1
InChIInChI=1S/C14H14N2O/c1-8-5-9(2)13-10(3)11(7-15)14(17)16(4)12(13)6-8/h5-6H,1-4H3
InChIKeyHNGIQQTWLWATSL-UHFFFAOYSA-N
XLogP2.34
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile (CID 84625068) is 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile is Cc1cc(C)c2c(C)c(C#N)c(=O)n(C)c2c1.
What is the InChIKey of 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile?
The InChIKey is HNGIQQTWLWATSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-8-5-9(2)13-10(3)11(7-15)14(17)16(4)12(13)6-8/h5-6H,1-4H3.
What are the key properties of 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile?
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 84625068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).