[1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate

C18H16F3NO4 — CID 67880279

IUPAC[1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate
SMILESC=CC(C1CC1)n1cc(OC(=O)OCC)c(=O)c2cc(F)c(F)c(F)c21
InChIInChI=1S/C18H16F3NO4/c1-3-12(9-5-6-9)22-8-13(26-18(24)25-4-2)17(23)10-7-11(19)14(20)15(21)16(10)22/h3,7-9,12H,1,4-6H2,2H3
InChIKeyINHXNPAGYUSSLR-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.09
Rot. Bonds5

About [1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate

[1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate (PubChem CID 67880279) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is [1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate.

Molecular Properties

Compound Name[1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate
PubChem CID67880279
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name[1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate
SMILESC=CC(C1CC1)n1cc(OC(=O)OCC)c(=O)c2cc(F)c(F)c(F)c21
InChIInChI=1S/C18H16F3NO4/c1-3-12(9-5-6-9)22-8-13(26-18(24)25-4-2)17(23)10-7-11(19)14(20)15(21)16(10)22/h3,7-9,12H,1,4-6H2,2H3
InChIKeyINHXNPAGYUSSLR-UHFFFAOYSA-N
XLogP4.09
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-but-3-en-2-yl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 15717523
ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 19371459
ethyl (1-ethyl-6,8-difluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl) carbonate
CID 70471151
(1-ethyl-6,7,8-trifluoro-4-oxoquinolin-3-yl) propanoate
CID 175393794
ethyl 6,7,8-trifluoro-1-(methylcarbamoyl)-4-oxoquinoline-3-carboxylate
CID 141456927
(2-benzyl-6,7-difluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaen-11-yl) ethyl carbonate
CID 67880301
ethyl 1-acetamido-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 141213468
ethyl 6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylate
CID 70114933
diethyl 2-(1-ethenyl-3-ethoxycarbonyl-6,8-difluoro-4-oxoquinolin-7-yl)propanedioate
CID 22167267
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932
ethyl 6,7-difluoro-1-[(1R,2R)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylate
CID 70114932
ethyl 1-(3-chloroprop-1-en-2-yl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 15094162

Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate?
The IUPAC name of [1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate (CID 67880279) is [1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate.
What is the SMILES notation for [1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate?
The canonical SMILES for [1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate is C=CC(C1CC1)n1cc(OC(=O)OCC)c(=O)c2cc(F)c(F)c(F)c21.
What is the InChIKey of [1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate?
The InChIKey is INHXNPAGYUSSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4/c1-3-12(9-5-6-9)22-8-13(26-18(24)25-4-2)17(23)10-7-11(19)14(20)15(21)16(10)22/h3,7-9,12H,1,4-6H2,2H3.
What are the key properties of [1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate?
[1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate has a molecular weight of 367.32 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclopropylprop-2-enyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] ethyl carbonate is sourced from PubChem (CID 67880279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).