7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide

C13H10F2N2O — CID 110490035

IUPAC7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCNC(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C13H10F2N2O/c1-2-5-16-13(18)9-6-8-3-4-10(14)11(15)12(8)17-7-9/h2-4,6-7H,1,5H2,(H,16,18)
InChIKeyWBJXGUGLRXMCCL-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.43
Rot. Bonds3

About 7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide

7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide (PubChem CID 110490035) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide
PubChem CID110490035
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCNC(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C13H10F2N2O/c1-2-5-16-13(18)9-6-8-3-4-10(14)11(15)12(8)17-7-9/h2-4,6-7H,1,5H2,(H,16,18)
InChIKeyWBJXGUGLRXMCCL-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-methylquinoline-3-carboxamide
CID 110490026
N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide
CID 110490062
5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide
CID 130550467
6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide
CID 110490180
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101837
N-prop-2-enylquinoxaline-6-carboxamide
CID 2256092

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide (CID 110490035) is 7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide is C=CCNC(=O)c1cnc2c(F)c(F)ccc2c1.
What is the InChIKey of 7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide?
The InChIKey is WBJXGUGLRXMCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c1-2-5-16-13(18)9-6-8-3-4-10(14)11(15)12(8)17-7-9/h2-4,6-7H,1,5H2,(H,16,18).
What are the key properties of 7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide?
7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide has a molecular weight of 248.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 110490035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).