5,8-difluoro-2-methylquinoline-4-carboxamide

C11H8F2N2O — CID 82574050

IUPAC5,8-difluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2c(F)ccc(F)c2n1
InChIInChI=1S/C11H8F2N2O/c1-5-4-6(11(14)16)9-7(12)2-3-8(13)10(9)15-5/h2-4H,1H3,(H2,14,16)
InChIKeyQJLVKANFCRYEKU-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.92
Rot. Bonds1

About 5,8-difluoro-2-methylquinoline-4-carboxamide

5,8-difluoro-2-methylquinoline-4-carboxamide (PubChem CID 82574050) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 5,8-difluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name5,8-difluoro-2-methylquinoline-4-carboxamide
PubChem CID82574050
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name5,8-difluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2c(F)ccc(F)c2n1
InChIInChI=1S/C11H8F2N2O/c1-5-4-6(11(14)16)9-7(12)2-3-8(13)10(9)15-5/h2-4H,1H3,(H2,14,16)
InChIKeyQJLVKANFCRYEKU-UHFFFAOYSA-N
XLogP1.92
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of 5,8-difluoro-2-methylquinoline-4-carboxamide (CID 82574050) is 5,8-difluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 5,8-difluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for 5,8-difluoro-2-methylquinoline-4-carboxamide is Cc1cc(C(N)=O)c2c(F)ccc(F)c2n1.
What is the InChIKey of 5,8-difluoro-2-methylquinoline-4-carboxamide?
The InChIKey is QJLVKANFCRYEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c1-5-4-6(11(14)16)9-7(12)2-3-8(13)10(9)15-5/h2-4H,1H3,(H2,14,16).
What are the key properties of 5,8-difluoro-2-methylquinoline-4-carboxamide?
5,8-difluoro-2-methylquinoline-4-carboxamide has a molecular weight of 222.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 82574050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).