tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate

C27H26FN3O4 — CID 126696510

IUPACtert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(-c3cc4c(cc3F)c3ocnc3c(=O)n4C3CC3)cc2C1
InChIInChI=1S/C27H26FN3O4/c1-27(2,3)35-26(33)30-17-9-14-4-5-15(8-16(14)10-17)19-12-22-20(11-21(19)28)24-23(29-13-34-24)25(32)31(22)18-6-7-18/h4-5,8,11-13,17-18H,6-7,9-10H2,1-3H3,(H,30,33)
InChIKeyHDTZUHZPRAYANP-UHFFFAOYSA-N
MW475.52 g/mol
LogP5.28
Rot. Bonds3

About tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate

tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate (PubChem CID 126696510) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate
PubChem CID126696510
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Nametert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(-c3cc4c(cc3F)c3ocnc3c(=O)n4C3CC3)cc2C1
InChIInChI=1S/C27H26FN3O4/c1-27(2,3)35-26(33)30-17-9-14-4-5-15(8-16(14)10-17)19-12-22-20(11-21(19)28)24-23(29-13-34-24)25(32)31(22)18-6-7-18/h4-5,8,11-13,17-18H,6-7,9-10H2,1-3H3,(H,30,33)
InChIKeyHDTZUHZPRAYANP-UHFFFAOYSA-N
XLogP5.28
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate with MolForge

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Related Compounds

5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126717503
tert-butyl 5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)-1,3-dihydroisoindole-2-carboxylate
CID 11591303
tert-butyl N-[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methoxy-3-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]carbamate
CID 129196050
(2S)-6-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-methyl-4,11-dioxa-1,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5,7,9(16),10(14),12-pentaen-15-one;(2S)-6-(2,3-dihydro-1H-isoindol-5-yl)-2-methyl-4,11-dioxa-1,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5,7,9(16),10(14),12-pentaen-15-one
CID 145275246
tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate
CID 154687251
7-[3-(aminomethyl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methoxy-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 118446693
tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate
CID 71098528
methyl 3-[6-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 66823935
tert-butyl N-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-4-fluoropyrrolidin-3-yl]carbamate
CID 69074700
tert-butyl N-(4-fluoro-5-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
CID 147682184
tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 124560791
tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 66679493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate (CID 126696510) is tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate is CC(C)(C)OC(=O)NC1Cc2ccc(-c3cc4c(cc3F)c3ocnc3c(=O)n4C3CC3)cc2C1.
What is the InChIKey of tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The InChIKey is HDTZUHZPRAYANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-27(2,3)35-26(33)30-17-9-14-4-5-15(8-16(14)10-17)19-12-22-20(11-21(19)28)24-23(29-13-34-24)25(32)31(22)18-6-7-18/h4-5,8,11-13,17-18H,6-7,9-10H2,1-3H3,(H,30,33).
What are the key properties of tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate?
tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate has a molecular weight of 475.52 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate is sourced from PubChem (CID 126696510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).