6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide

C12H10F2N2O2 — CID 134393289

IUPAC6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide
SMILESCON(C)C(=O)c1cnc2cc(F)c(F)cc2c1
InChIInChI=1S/C12H10F2N2O2/c1-16(18-2)12(17)8-3-7-4-9(13)10(14)5-11(7)15-6-8/h3-6H,1-2H3
InChIKeyJLNMHUZPZNWIHU-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.15
Rot. Bonds2

About 6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide

6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide (PubChem CID 134393289) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide
PubChem CID134393289
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide
SMILESCON(C)C(=O)c1cnc2cc(F)c(F)cc2c1
InChIInChI=1S/C12H10F2N2O2/c1-16(18-2)12(17)8-3-7-4-9(13)10(14)5-11(7)15-6-8/h3-6H,1-2H3
InChIKeyJLNMHUZPZNWIHU-UHFFFAOYSA-N
XLogP2.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide?
The IUPAC name of 6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide (CID 134393289) is 6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide.
What is the SMILES notation for 6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide?
The canonical SMILES for 6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide is CON(C)C(=O)c1cnc2cc(F)c(F)cc2c1.
What is the InChIKey of 6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide?
The InChIKey is JLNMHUZPZNWIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-16(18-2)12(17)8-3-7-4-9(13)10(14)5-11(7)15-6-8/h3-6H,1-2H3.
What are the key properties of 6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide?
6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide has a molecular weight of 252.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 134393289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).