tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate

C15H18BrN3O3 — CID 86669526

IUPACtert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2nc(Br)ncc2c1
InChIInChI=1S/C15H18BrN3O3/c1-15(2,3)22-14(20)17-6-7-21-11-4-5-12-10(8-11)9-18-13(16)19-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)
InChIKeyULCVQWPLBFCFJC-UHFFFAOYSA-N
MW368.23 g/mol
LogP3.30
Rot. Bonds4

About tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate

tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate (PubChem CID 86669526) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate
PubChem CID86669526
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Nametert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2nc(Br)ncc2c1
InChIInChI=1S/C15H18BrN3O3/c1-15(2,3)22-14(20)17-6-7-21-11-4-5-12-10(8-11)9-18-13(16)19-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)
InChIKeyULCVQWPLBFCFJC-UHFFFAOYSA-N
XLogP3.30
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate
CID 156619972
tert-butyl N-[2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]ethyl]carbamate
CID 134180800
tert-butyl N-[3-[(2-cyano-1,3-benzothiazol-6-yl)oxy]propyl]carbamate
CID 58797688
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-1H-indole-2-carboxylic acid
CID 134272195
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
tert-butyl N-[2-[6,7-bis(hydroxymethyl)naphthalen-2-yl]oxyethyl]carbamate
CID 122667217
tert-butyl N-[2-[(5-iodo-3-pyridinyl)oxy]ethyl]carbamate
CID 145472703
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
tert-butyl N-[2-(1-aminoisoquinolin-7-yl)oxyethyl]carbamate
CID 22631368
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
CID 167741543
tert-butyl N-[2-(3-bromo-5-iodophenoxy)ethyl]carbamate
CID 175686769
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate (CID 86669526) is tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccc2nc(Br)ncc2c1.
What is the InChIKey of tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate?
The InChIKey is ULCVQWPLBFCFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-15(2,3)22-14(20)17-6-7-21-11-4-5-12-10(8-11)9-18-13(16)19-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate?
tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate has a molecular weight of 368.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate is sourced from PubChem (CID 86669526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).