3-(7-fluoroquinolin-6-yl)prop-2-enamide

C12H9FN2O — CID 169482434

IUPAC3-(7-fluoroquinolin-6-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cc2cccnc2cc1F
InChIInChI=1S/C12H9FN2O/c13-10-7-11-9(2-1-5-15-11)6-8(10)3-4-12(14)16/h1-7H,(H2,14,16)
InChIKeyMKIODMIYGPMSOT-UHFFFAOYSA-N
MW216.22 g/mol
LogP1.87
Rot. Bonds2

About 3-(7-fluoroquinolin-6-yl)prop-2-enamide

3-(7-fluoroquinolin-6-yl)prop-2-enamide (PubChem CID 169482434) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 3-(7-fluoroquinolin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(7-fluoroquinolin-6-yl)prop-2-enamide
PubChem CID169482434
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name3-(7-fluoroquinolin-6-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cc2cccnc2cc1F
InChIInChI=1S/C12H9FN2O/c13-10-7-11-9(2-1-5-15-11)6-8(10)3-4-12(14)16/h1-7H,(H2,14,16)
InChIKeyMKIODMIYGPMSOT-UHFFFAOYSA-N
XLogP1.87
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-fluoroquinoline-6-carboxylic acid
CID 77174821
(E)-3-(6-nitrosoquinolin-7-yl)prop-2-enoic acid
CID 142887367
3-(2-bromo-3-pyridinyl)prop-2-enamide
CID 169482701
6-fluoroquinoline-7-carboxylic acid
CID 175475921
3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide
CID 169482979
1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168629682
ethane;6-ethyl-7-fluoroquinoline
CID 142320503
2,2-difluoro-2-quinolin-6-ylacetamide
CID 175897040
3-(2-fluoro-4-hydroxy-5-nitrophenyl)prop-2-enamide
CID 169482372
6-methylquinoline-7-carboxamide
CID 142343744
1-(7-fluoroquinolin-6-yl)ethanol
CID 66927200
N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoroquinolin-6-yl)prop-2-enamide?
The IUPAC name of 3-(7-fluoroquinolin-6-yl)prop-2-enamide (CID 169482434) is 3-(7-fluoroquinolin-6-yl)prop-2-enamide.
What is the SMILES notation for 3-(7-fluoroquinolin-6-yl)prop-2-enamide?
The canonical SMILES for 3-(7-fluoroquinolin-6-yl)prop-2-enamide is NC(=O)C=Cc1cc2cccnc2cc1F.
What is the InChIKey of 3-(7-fluoroquinolin-6-yl)prop-2-enamide?
The InChIKey is MKIODMIYGPMSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c13-10-7-11-9(2-1-5-15-11)6-8(10)3-4-12(14)16/h1-7H,(H2,14,16).
What are the key properties of 3-(7-fluoroquinolin-6-yl)prop-2-enamide?
3-(7-fluoroquinolin-6-yl)prop-2-enamide has a molecular weight of 216.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoroquinolin-6-yl)prop-2-enamide is sourced from PubChem (CID 169482434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).