tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate

C23H29FN2O5 — CID 86730727

IUPACtert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate
SMILESCOc1ccc2ncc3c(c2c1F)CC(C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CO1)O3
InChIInChI=1S/C23H29FN2O5/c1-23(2,3)31-22(27)26-13-5-6-14(29-12-13)9-15-10-16-19(30-15)11-25-17-7-8-18(28-4)21(24)20(16)17/h7-8,11,13-15H,5-6,9-10,12H2,1-4H3,(H,26,27)/t13-,14+,15?/m1/s1
InChIKeyBFEPFTHGUAJXPV-GNXJLENFSA-N
MW432.49 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate

tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate (PubChem CID 86730727) has the molecular formula C23H29FN2O5 and a molecular weight of 432.49 g/mol. Its IUPAC name is tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate
PubChem CID86730727
Molecular FormulaC23H29FN2O5
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC Nametert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate
SMILESCOc1ccc2ncc3c(c2c1F)CC(C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CO1)O3
InChIInChI=1S/C23H29FN2O5/c1-23(2,3)31-22(27)26-13-5-6-14(29-12-13)9-15-10-16-19(30-15)11-25-17-7-8-18(28-4)21(24)20(16)17/h7-8,11,13-15H,5-6,9-10,12H2,1-4H3,(H,26,27)/t13-,14+,15?/m1/s1
InChIKeyBFEPFTHGUAJXPV-GNXJLENFSA-N
XLogP4.15
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate with MolForge

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Related Compounds

N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 71475543
tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate
CID 86730705
tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
CID 142544419
tert-butyl N-[(3R,6S)-6-[2-(3-fluoro-6-methoxyquinolin-4-yl)-1,2-dihydroxyethyl]oxan-3-yl]carbamate
CID 67366628
tert-butyl N-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771208
tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate
CID 164580567
tert-butyl N-[(3R,6S)-6-[(cyanoamino)methyl]oxan-3-yl]carbamate
CID 164580553
tert-butyl N-[1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 86635315
tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate
CID 91339553
tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate
CID 68617905
tert-butyl N-[4-[2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate
CID 68617908
[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl 4-methylbenzenesulfonate
CID 87372698

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate (CID 86730727) is tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate is COc1ccc2ncc3c(c2c1F)CC(C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CO1)O3.
What is the InChIKey of tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate?
The InChIKey is BFEPFTHGUAJXPV-GNXJLENFSA-N. The full InChI is InChI=1S/C23H29FN2O5/c1-23(2,3)31-22(27)26-13-5-6-14(29-12-13)9-15-10-16-19(30-15)11-25-17-7-8-18(28-4)21(24)20(16)17/h7-8,11,13-15H,5-6,9-10,12H2,1-4H3,(H,26,27)/t13-,14+,15?/m1/s1.
What are the key properties of tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate?
tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate has a molecular weight of 432.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,6S)-6-[(9-fluoro-8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methyl]oxan-3-yl]carbamate is sourced from PubChem (CID 86730727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).