5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile

C14H14N2O — CID 18738657

IUPAC5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile
SMILESCc1c(C)c(C)c2c(=O)c(C#N)c[nH]c2c1C
InChIInChI=1S/C14H14N2O/c1-7-8(2)10(4)13-12(9(7)3)14(17)11(5-15)6-16-13/h6H,1-4H3,(H,16,17)
InChIKeyAEZXPDYMVKVOPK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.63
Rot. Bonds

About 5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile

5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile (PubChem CID 18738657) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile
PubChem CID18738657
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile
SMILESCc1c(C)c(C)c2c(=O)c(C#N)c[nH]c2c1C
InChIInChI=1S/C14H14N2O/c1-7-8(2)10(4)13-12(9(7)3)14(17)11(5-15)6-16-13/h6H,1-4H3,(H,16,17)
InChIKeyAEZXPDYMVKVOPK-UHFFFAOYSA-N
XLogP2.63
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 22953001
6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 22953004
5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 22466603
6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 103414597
8-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 28978423
4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 24695119
6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile
CID 61474799
4-oxo-7,8-bis(sulfanyl)-6-sulfanylidene-1,5-dihydro-1,5-naphthyridine-3-carbonitrile
CID 142025665
7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 69372063
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carbonitrile
CID 24707150
8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 107606970
4-methyl-7-(methylamino)-1H-indole-3-carbonitrile
CID 139366191

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile (CID 18738657) is 5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile is Cc1c(C)c(C)c2c(=O)c(C#N)c[nH]c2c1C.
What is the InChIKey of 5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is AEZXPDYMVKVOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-7-8(2)10(4)13-12(9(7)3)14(17)11(5-15)6-16-13/h6H,1-4H3,(H,16,17).
What are the key properties of 5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile?
5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 18738657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).