tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate

C17H19ClFN3O3 — CID 146492877

IUPACtert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(=C\F)COc1ccc2nc(Cl)ncc2c1
InChIInChI=1S/C17H19ClFN3O3/c1-17(2,3)25-16(23)21-8-11(7-19)10-24-13-4-5-14-12(6-13)9-20-15(18)22-14/h4-7,9H,8,10H2,1-3H3,(H,21,23)/b11-7+
InChIKeyNIIHGROPOWQHGZ-YRNVUSSQSA-N
MW367.81 g/mol
LogP4.04
Rot. Bonds5

About tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate

tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate (PubChem CID 146492877) has the molecular formula C17H19ClFN3O3 and a molecular weight of 367.81 g/mol. Its IUPAC name is tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
PubChem CID146492877
Molecular FormulaC17H19ClFN3O3
Molecular Weight367.81 g/mol
Exact Mass367.11
IUPAC Nametert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(=C\F)COc1ccc2nc(Cl)ncc2c1
InChIInChI=1S/C17H19ClFN3O3/c1-17(2,3)25-16(23)21-8-11(7-19)10-24-13-4-5-14-12(6-13)9-20-15(18)22-14/h4-7,9H,8,10H2,1-3H3,(H,21,23)/b11-7+
InChIKeyNIIHGROPOWQHGZ-YRNVUSSQSA-N
XLogP4.04
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(E)-2-[(2-bromo-1,3-benzothiazol-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 162496719
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CID 175852388
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)-3-fluoro-2-[[2-(morpholine-4-carbonyl)quinazolin-6-yl]oxymethyl]prop-2-enyl]carbamate
CID 146492892
tert-butyl N-[2-[[2-(tert-butylamino)-1,3-benzoxazol-6-yl]oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 175141804
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-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate
CID 146492867
tert-butyl N-[(E)-2-[[2-(benzenesulfonamido)quinolin-6-yl]oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 146492899
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-oxoindol-5-yl)oxymethyl]prop-2-enyl]carbamate
CID 175398823
2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline
CID 146493121

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate (CID 146492877) is tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C(=C\F)COc1ccc2nc(Cl)ncc2c1.
What is the InChIKey of tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate?
The InChIKey is NIIHGROPOWQHGZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H19ClFN3O3/c1-17(2,3)25-16(23)21-8-11(7-19)10-24-13-4-5-14-12(6-13)9-20-15(18)22-14/h4-7,9H,8,10H2,1-3H3,(H,21,23)/b11-7+.
What are the key properties of tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate?
tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate has a molecular weight of 367.81 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate is sourced from PubChem (CID 146492877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).