2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate

C14H14FN5O2 — CID 59696701

IUPAC2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate
SMILESCC(C)COC(=O)c1cc2cc(F)c(N)cc2n2nnnc12
InChIInChI=1S/C14H14FN5O2/c1-7(2)6-22-14(21)9-3-8-4-10(15)11(16)5-12(8)20-13(9)17-18-19-20/h3-5,7H,6,16H2,1-2H3
InChIKeyODWMMWVCDDKHHZ-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.81
Rot. Bonds3

About 2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate

2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate (PubChem CID 59696701) has the molecular formula C14H14FN5O2 and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate
PubChem CID59696701
Molecular FormulaC14H14FN5O2
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC Name2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate
SMILESCC(C)COC(=O)c1cc2cc(F)c(N)cc2n2nnnc12
InChIInChI=1S/C14H14FN5O2/c1-7(2)6-22-14(21)9-3-8-4-10(15)11(16)5-12(8)20-13(9)17-18-19-20/h3-5,7H,6,16H2,1-2H3
InChIKeyODWMMWVCDDKHHZ-UHFFFAOYSA-N
XLogP1.81
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 2,5-difluorobenzoate
CID 74788614
2-methylbutyl 5-amino-2,4-difluorobenzoate
CID 55036956
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CID 23502142
2-methylpropyl 2-amino-4-bromobenzoate
CID 61277458
bis(2-methylpropyl) 3-fluorobenzene-1,2-dicarboxylate
CID 23502306
2-methylpropyl 2-amino-5-[[4-amino-3-(2-methylpropoxycarbonyl)phenyl]methyl]benzoate
CID 101384332
2-methylpropyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65397926
2-methylpropyl 2-(5-amino-2,4-difluorophenyl)sulfanyl-3-methylbutanoate
CID 139689803
2-methylpropyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65398119
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
2-methylpropyl 2,6-difluorobenzoate
CID 587969
2-propan-2-yloxyethyl 5-amino-2,4-difluorobenzoate
CID 61278271

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate?
The IUPAC name of 2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate (CID 59696701) is 2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate?
The canonical SMILES for 2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate is CC(C)COC(=O)c1cc2cc(F)c(N)cc2n2nnnc12.
What is the InChIKey of 2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate?
The InChIKey is ODWMMWVCDDKHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2/c1-7(2)6-22-14(21)9-3-8-4-10(15)11(16)5-12(8)20-13(9)17-18-19-20/h3-5,7H,6,16H2,1-2H3.
What are the key properties of 2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate?
2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate has a molecular weight of 303.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 8-amino-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylate is sourced from PubChem (CID 59696701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).