4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile

C11H7F2N3 — CID 103587302

IUPAC4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile
SMILESCc1cc(F)c2ncc(C#N)c(N)c2c1F
InChIInChI=1S/C11H7F2N3/c1-5-2-7(12)11-8(9(5)13)10(15)6(3-14)4-16-11/h2,4H,1H3,(H2,15,16)
InChIKeyXZXMZUIETNJGSK-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.28
Rot. Bonds

About 4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile

4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile (PubChem CID 103587302) has the molecular formula C11H7F2N3 and a molecular weight of 219.19 g/mol. Its IUPAC name is 4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile
PubChem CID103587302
Molecular FormulaC11H7F2N3
Molecular Weight219.19 g/mol
Exact Mass219.06
IUPAC Name4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile
SMILESCc1cc(F)c2ncc(C#N)c(N)c2c1F
InChIInChI=1S/C11H7F2N3/c1-5-2-7(12)11-8(9(5)13)10(15)6(3-14)4-16-11/h2,4H,1H3,(H2,15,16)
InChIKeyXZXMZUIETNJGSK-UHFFFAOYSA-N
XLogP2.28
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-5,8-difluoro-6-methylquinoline-3-carbonitrile
CID 103587304
4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile
CID 107531231
ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate
CID 103587307
4-amino-5,7-dimethylquinoline-3-carbonitrile
CID 62189882
5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile
CID 107594066
2-fluoro-5-methylpyridine-4-carbonitrile
CID 130133304
4-amino-2-fluoro-3,5-dimethylbenzonitrile
CID 156889855
4-amino-3-bromo-2-fluoro-5-methylbenzonitrile
CID 14621074
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carbonitrile
CID 103584541
methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 103587309
2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine
CID 103587333
4-fluoro-5-methylbenzene-1,2-dicarbonitrile
CID 146962290

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile?
The IUPAC name of 4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile (CID 103587302) is 4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile.
What is the SMILES notation for 4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile?
The canonical SMILES for 4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile is Cc1cc(F)c2ncc(C#N)c(N)c2c1F.
What is the InChIKey of 4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile?
The InChIKey is XZXMZUIETNJGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3/c1-5-2-7(12)11-8(9(5)13)10(15)6(3-14)4-16-11/h2,4H,1H3,(H2,15,16).
What are the key properties of 4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile?
4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile has a molecular weight of 219.19 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile is sourced from PubChem (CID 103587302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).