7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline

C13H14FN — CID 91172116

IUPAC7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline
SMILESCC=CC1N=c2cc(F)ccc2=CC1C
InChIInChI=1S/C13H14FN/c1-3-4-12-9(2)7-10-5-6-11(14)8-13(10)15-12/h3-9,12H,1-2H3
InChIKeyTZOKPUSBVONRNH-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.82
Rot. Bonds1

About 7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline

7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline (PubChem CID 91172116) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is 7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline.

Molecular Properties

Compound Name7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline
PubChem CID91172116
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline
SMILESCC=CC1N=c2cc(F)ccc2=CC1C
InChIInChI=1S/C13H14FN/c1-3-4-12-9(2)7-10-5-6-11(14)8-13(10)15-12/h3-9,12H,1-2H3
InChIKeyTZOKPUSBVONRNH-UHFFFAOYSA-N
XLogP1.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3h-Quinoline
CID 22027752
4-Methyl-2,3-dihydroquinoline
CID 68274032
4a,9a-Dihydroacridine
CID 89376300
2,3,3-Trimethylquinoline
CID 141733304
(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839
6-(Difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
CID 90977674
(3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine
CID 126592408
6-Fluoro-2-methyl-8,8a-dihydroquinoline
CID 130413071
(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine
CID 130413140
6-Fluoro-2-methyl-4a,8a-dihydroquinoline
CID 141789609
5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-3-methyl-2H-pyrrole
CID 143331085
7-Fluoro-2,3-dihydroquinoline
CID 151940112

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline?
The IUPAC name of 7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline (CID 91172116) is 7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline.
What is the SMILES notation for 7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline?
The canonical SMILES for 7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline is CC=CC1N=c2cc(F)ccc2=CC1C.
What is the InChIKey of 7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline?
The InChIKey is TZOKPUSBVONRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN/c1-3-4-12-9(2)7-10-5-6-11(14)8-13(10)15-12/h3-9,12H,1-2H3.
What are the key properties of 7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline?
7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline has a molecular weight of 203.26 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline is sourced from PubChem (CID 91172116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).