4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile

C14H14N2O — CID 84625061

IUPAC4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile
SMILESCc1c(C#N)c(=O)[nH]c2ccc(C(C)C)cc12
InChIInChI=1S/C14H14N2O/c1-8(2)10-4-5-13-11(6-10)9(3)12(7-15)14(17)16-13/h4-6,8H,1-3H3,(H,16,17)
InChIKeyYWNKFPRFCAFFMB-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.83
Rot. Bonds1

About 4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile

4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile (PubChem CID 84625061) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile
PubChem CID84625061
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile
SMILESCc1c(C#N)c(=O)[nH]c2ccc(C(C)C)cc12
InChIInChI=1S/C14H14N2O/c1-8(2)10-4-5-13-11(6-10)9(3)12(7-15)14(17)16-13/h4-6,8H,1-3H3,(H,16,17)
InChIKeyYWNKFPRFCAFFMB-UHFFFAOYSA-N
XLogP2.83
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile (CID 84625061) is 4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile is Cc1c(C#N)c(=O)[nH]c2ccc(C(C)C)cc12.
What is the InChIKey of 4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile?
The InChIKey is YWNKFPRFCAFFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-8(2)10-4-5-13-11(6-10)9(3)12(7-15)14(17)16-13/h4-6,8H,1-3H3,(H,16,17).
What are the key properties of 4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile?
4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 84625061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).