7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile

C11H7FN2O — CID 84619808

IUPAC7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile
SMILESCc1c(C#N)c(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C11H7FN2O/c1-6-8-3-2-7(12)4-10(8)14-11(15)9(6)5-13/h2-4H,1H3,(H,14,15)
InChIKeyAJILMBXTIVPVPE-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.85
Rot. Bonds

About 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile

7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 84619808) has the molecular formula C11H7FN2O and a molecular weight of 202.19 g/mol. Its IUPAC name is 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID84619808
Molecular FormulaC11H7FN2O
Molecular Weight202.19 g/mol
Exact Mass202.05
IUPAC Name7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile
SMILESCc1c(C#N)c(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C11H7FN2O/c1-6-8-3-2-7(12)4-10(8)14-11(15)9(6)5-13/h2-4H,1H3,(H,14,15)
InChIKeyAJILMBXTIVPVPE-UHFFFAOYSA-N
XLogP1.85
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84620523
8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
CID 84625391
4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile
CID 84625061
4-(2-chloro-5-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587175
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 11679891
6-fluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 22690302
3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one
CID 54705971
butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 143489828
3-(6-fluoro-2-methyl-1H-indol-3-yl)propanenitrile
CID 82491568
7-fluoro-3-oxo-1-[(2,4,6-trifluorophenyl)methylsulfanyl]-2H-isoquinoline-4-carbonitrile
CID 90137705
1-[(2,4-difluorophenyl)methoxy]-7-fluoro-3-oxo-2H-isoquinoline-4-carbonitrile
CID 90138543
7-fluoro-1-[(4-methyl-3-pyridinyl)methylsulfanyl]-3-oxo-2H-isoquinoline-4-carbonitrile
CID 71053611

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile (CID 84619808) is 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile is Cc1c(C#N)c(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is AJILMBXTIVPVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O/c1-6-8-3-2-7(12)4-10(8)14-11(15)9(6)5-13/h2-4H,1H3,(H,14,15).
What are the key properties of 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile?
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 202.19 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 84619808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).