7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one

C12H10FNO — CID 61344681

IUPAC7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one
SMILESC#CCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C12H10FNO/c1-2-7-14-11-8-10(13)5-3-9(11)4-6-12(14)15/h1,3,5,8H,4,6-7H2
InChIKeyPQTLFVBNWNFLQU-UHFFFAOYSA-N
MW203.22 g/mol
LogP1.74
Rot. Bonds1

About 7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one

7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one (PubChem CID 61344681) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one
PubChem CID61344681
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one
SMILESC#CCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C12H10FNO/c1-2-7-14-11-8-10(13)5-3-9(11)4-6-12(14)15/h1,3,5,8H,4,6-7H2
InChIKeyPQTLFVBNWNFLQU-UHFFFAOYSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one (CID 61344681) is 7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one is C#CCN1C(=O)CCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one?
The InChIKey is PQTLFVBNWNFLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c1-2-7-14-11-8-10(13)5-3-9(11)4-6-12(14)15/h1,3,5,8H,4,6-7H2.
What are the key properties of 7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one?
7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one has a molecular weight of 203.22 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 61344681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).