4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile

C13H12N2O2 — CID 82242632

IUPAC4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile
SMILESCC(C)Oc1ccc2[nH]c(C#N)cc(=O)c2c1
InChIInChI=1S/C13H12N2O2/c1-8(2)17-10-3-4-12-11(6-10)13(16)5-9(7-14)15-12/h3-6,8H,1-2H3,(H,15,16)
InChIKeyHYXXEKHBZBFMCP-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.19
Rot. Bonds2

About 4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile

4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile (PubChem CID 82242632) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile
PubChem CID82242632
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile
SMILESCC(C)Oc1ccc2[nH]c(C#N)cc(=O)c2c1
InChIInChI=1S/C13H12N2O2/c1-8(2)17-10-3-4-12-11(6-10)13(16)5-9(7-14)15-12/h3-6,8H,1-2H3,(H,15,16)
InChIKeyHYXXEKHBZBFMCP-UHFFFAOYSA-N
XLogP2.19
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile
CID 82241708
6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione
CID 146342056
2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one
CID 55221673
7-chloro-4-oxo-1H-quinoline-2-carbonitrile
CID 15877340
6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one
CID 43668344
2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid
CID 82248182
3-(2-aminoethyl)-4-methyl-6-propan-2-yloxy-1H-quinolin-2-one
CID 84638203
6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile
CID 11746430
2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one
CID 63358135
5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione
CID 18966959
5-methoxy-3-propan-2-yloxy-1H-indole-2-carboxamide
CID 10753063
CID 157177640
CID 157177640

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile?
The IUPAC name of 4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile (CID 82242632) is 4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile.
What is the SMILES notation for 4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile?
The canonical SMILES for 4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile is CC(C)Oc1ccc2[nH]c(C#N)cc(=O)c2c1.
What is the InChIKey of 4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile?
The InChIKey is HYXXEKHBZBFMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8(2)17-10-3-4-12-11(6-10)13(16)5-9(7-14)15-12/h3-6,8H,1-2H3,(H,15,16).
What are the key properties of 4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile?
4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile is sourced from PubChem (CID 82242632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).