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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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).