tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate

C23H31FN2O5 — CID 146492867

IUPACtert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate
SMILESCC(C)OCCOc1ccc2cc(OC/C(=C/F)CNC(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C23H31FN2O5/c1-16(2)28-10-11-29-21-9-6-18-12-19(7-8-20(18)26-21)30-15-17(13-24)14-25-22(27)31-23(3,4)5/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H,25,27)/b17-13+
InChIKeyTWNIPOZAVVYTSV-GHRIWEEISA-N
MW434.51 g/mol
LogP4.80
Rot. Bonds10

About tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate

tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate (PubChem CID 146492867) has the molecular formula C23H31FN2O5 and a molecular weight of 434.51 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate
PubChem CID146492867
Molecular FormulaC23H31FN2O5
Molecular Weight434.51 g/mol
Exact Mass434.22
IUPAC Nametert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate
SMILESCC(C)OCCOc1ccc2cc(OC/C(=C/F)CNC(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C23H31FN2O5/c1-16(2)28-10-11-29-21-9-6-18-12-19(7-8-20(18)26-21)30-15-17(13-24)14-25-22(27)31-23(3,4)5/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H,25,27)/b17-13+
InChIKeyTWNIPOZAVVYTSV-GHRIWEEISA-N
XLogP4.80
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate with MolForge

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Related Compounds

(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine
CID 146492865
tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate
CID 175852388
tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 146492877
tert-butyl N-[(E)-3-fluoro-2-[[2-[[2-(methylamino)-2-oxoacetyl]amino]quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate
CID 146493254
tert-butyl N-[(E)-2-[(2-bromo-1,3-benzothiazol-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 162496719
tert-butyl N-[(E)-2-[[2-(benzenesulfonamido)quinolin-6-yl]oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 146492899
tert-butyl N-[(E)-3-fluoro-2-[(2-oxoindol-5-yl)oxymethyl]prop-2-enyl]carbamate
CID 175398823
tert-butyl N-[(E)-2-[[2-(2,2-dimethylpropylamino)-1,3-benzoxazol-6-yl]oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 156778613
tert-butyl N-[2-[[2-(tert-butylamino)-1,3-benzoxazol-6-yl]oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 175141804
4-[(Z)-3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoxy]benzoic acid
CID 146417752
4-[(E)-3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoxy]benzoic acid
CID 153384791
tert-butyl N-[(E)-3-fluoro-2-[[2-(morpholine-4-carbonyl)quinazolin-6-yl]oxymethyl]prop-2-enyl]carbamate
CID 146492892

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate (CID 146492867) is tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate is CC(C)OCCOc1ccc2cc(OC/C(=C/F)CNC(=O)OC(C)(C)C)ccc2n1.
What is the InChIKey of tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate?
The InChIKey is TWNIPOZAVVYTSV-GHRIWEEISA-N. The full InChI is InChI=1S/C23H31FN2O5/c1-16(2)28-10-11-29-21-9-6-18-12-19(7-8-20(18)26-21)30-15-17(13-24)14-25-22(27)31-23(3,4)5/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H,25,27)/b17-13+.
What are the key properties of tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate?
tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate has a molecular weight of 434.51 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate is sourced from PubChem (CID 146492867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).