tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate

C15H17N3O2 — CID 11380239

IUPACtert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cn[nH]c2-c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-15(2,3)20-14(19)18-9-10-8-16-17-13(10)11-6-4-5-7-12(11)18/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyMPTMUQYXAFPRND-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.33
Rot. Bonds

About tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate

tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate (PubChem CID 11380239) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate
PubChem CID11380239
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nametert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cn[nH]c2-c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-15(2,3)20-14(19)18-9-10-8-16-17-13(10)11-6-4-5-7-12(11)18/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyMPTMUQYXAFPRND-UHFFFAOYSA-N
XLogP3.33
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane-1-carboxylate
CID 142601347
tert-butyl (3E)-4-oxo-3-[(E)-3-phenylprop-2-enylidene]-2H-quinoline-1-carboxylate
CID 138983720
tert-butyl 4-oxospiro[2H-quinoline-3,2'-oxirane]-1-carboxylate
CID 138963331
tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate
CID 66664074
tert-butyl 4-[3-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2H-benzimidazol-1-yl]piperidine-1-carboxylate
CID 175549177
tert-butyl 9H-acridine-10-carboxylate
CID 102499784
tert-butyl 7,7-difluoro-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carboxylate
CID 131116978
tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
CID 57347305
tert-butyl 3-formyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 90005169
tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
CID 11681181
tert-butyl 5-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84633187
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate?
The IUPAC name of tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate (CID 11380239) is tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate.
What is the SMILES notation for tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate?
The canonical SMILES for tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate is CC(C)(C)OC(=O)N1Cc2cn[nH]c2-c2ccccc21.
What is the InChIKey of tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate?
The InChIKey is MPTMUQYXAFPRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2,3)20-14(19)18-9-10-8-16-17-13(10)11-6-4-5-7-12(11)18/h4-8H,9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate?
tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate is sourced from PubChem (CID 11380239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).