methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate

C12H12FNO2 — CID 142429419

IUPACmethyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate
SMILESC=C1CCC(F)(C(=O)OC)c2cccnc21
InChIInChI=1S/C12H12FNO2/c1-8-5-6-12(13,11(15)16-2)9-4-3-7-14-10(8)9/h3-4,7H,1,5-6H2,2H3
InChIKeyKNVLACQRXIZIBJ-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.23
Rot. Bonds1

About methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate

methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate (PubChem CID 142429419) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate
PubChem CID142429419
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Namemethyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate
SMILESC=C1CCC(F)(C(=O)OC)c2cccnc21
InChIInChI=1S/C12H12FNO2/c1-8-5-6-12(13,11(15)16-2)9-4-3-7-14-10(8)9/h3-4,7H,1,5-6H2,2H3
InChIKeyKNVLACQRXIZIBJ-UHFFFAOYSA-N
XLogP2.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
CID 155433742
N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
CID 155433580
methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate
CID 102098459
(5S)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 142429476
(5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 151010120
N-[(2-chloro-3-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 155433596
methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate
CID 148941310
methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate
CID 83907472
methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
CID 116929876
methyl 2-[8-[(8-ethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]acetate
CID 163617989
methyl 1-isoquinolin-1-ylcyclobutane-1-carboxylate
CID 116995253
(5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 155433543

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate?
The IUPAC name of methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate (CID 142429419) is methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate.
What is the SMILES notation for methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate?
The canonical SMILES for methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate is C=C1CCC(F)(C(=O)OC)c2cccnc21.
What is the InChIKey of methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate?
The InChIKey is KNVLACQRXIZIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-8-5-6-12(13,11(15)16-2)9-4-3-7-14-10(8)9/h3-4,7H,1,5-6H2,2H3.
What are the key properties of methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate?
methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate has a molecular weight of 221.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate is sourced from PubChem (CID 142429419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).