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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Related Compounds

7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 84619808
N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine
CID 84622421
1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone
CID 22097863
8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
CID 84625391
(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanol
CID 84620017
butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 143489828
2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile
CID 102334117
2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
CID 102497800
3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione
CID 58748031
2,10-dioxo-8-propan-2-yl-1H-chromeno[3,2-b]pyridine-3-carbonitrile
CID 20561054
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 71574198
2-amino-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393028

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).