7,8-difluoro-N-methylquinoline-3-carboxamide

C11H8F2N2O — CID 110490026

IUPAC7,8-difluoro-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C11H8F2N2O/c1-14-11(16)7-4-6-2-3-8(12)9(13)10(6)15-5-7/h2-5H,1H3,(H,14,16)
InChIKeySWGNXTLLQAOMPV-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.87
Rot. Bonds1

About 7,8-difluoro-N-methylquinoline-3-carboxamide

7,8-difluoro-N-methylquinoline-3-carboxamide (PubChem CID 110490026) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 7,8-difluoro-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name7,8-difluoro-N-methylquinoline-3-carboxamide
PubChem CID110490026
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name7,8-difluoro-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C11H8F2N2O/c1-14-11(16)7-4-6-2-3-8(12)9(13)10(6)15-5-7/h2-5H,1H3,(H,14,16)
InChIKeySWGNXTLLQAOMPV-UHFFFAOYSA-N
XLogP1.87
TPSA41.99 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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide
CID 110490033
7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide
CID 110490043
7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide
CID 110490035
N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide
CID 110490062
N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide
CID 130421223
(7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 166390335
N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium
CID 155733605
7,8-difluoro-3-propan-2-ylquinoline
CID 168882990
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489691
2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
CID 110489629

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-N-methylquinoline-3-carboxamide?
The IUPAC name of 7,8-difluoro-N-methylquinoline-3-carboxamide (CID 110490026) is 7,8-difluoro-N-methylquinoline-3-carboxamide.
What is the SMILES notation for 7,8-difluoro-N-methylquinoline-3-carboxamide?
The canonical SMILES for 7,8-difluoro-N-methylquinoline-3-carboxamide is CNC(=O)c1cnc2c(F)c(F)ccc2c1.
What is the InChIKey of 7,8-difluoro-N-methylquinoline-3-carboxamide?
The InChIKey is SWGNXTLLQAOMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c1-14-11(16)7-4-6-2-3-8(12)9(13)10(6)15-5-7/h2-5H,1H3,(H,14,16).
What are the key properties of 7,8-difluoro-N-methylquinoline-3-carboxamide?
7,8-difluoro-N-methylquinoline-3-carboxamide has a molecular weight of 222.19 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 110490026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).