tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate

C14H16BrN3O2 — CID 164517252

IUPACtert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)c2ccc(Br)cc2n1
InChIInChI=1S/C14H16BrN3O2/c1-8-16-11-7-9(15)5-6-10(11)12(17-8)18-13(19)20-14(2,3)4/h5-7H,1-4H3,(H,16,17,18,19)
InChIKeyRLYGYBSUZOBZGY-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.05
Rot. Bonds1

About tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate

tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate (PubChem CID 164517252) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate
PubChem CID164517252
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Nametert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)c2ccc(Br)cc2n1
InChIInChI=1S/C14H16BrN3O2/c1-8-16-11-7-9(15)5-6-10(11)12(17-8)18-13(19)20-14(2,3)4/h5-7H,1-4H3,(H,16,17,18,19)
InChIKeyRLYGYBSUZOBZGY-UHFFFAOYSA-N
XLogP4.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(7-bromoquinolin-4-yl)carbamate
CID 71742953
tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
CID 66820532
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate
CID 156572162
tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate
CID 155039795
[5-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]boronic acid
CID 86767368
tert-butyl N-[5-(7-bromo-4-oxo-3H-quinazolin-2-yl)pentyl]carbamate
CID 178029382
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate
CID 162527661
tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate
CID 147354820
2-(3-bromophenyl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]amino]acetic acid
CID 143384060

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate (CID 164517252) is tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate is Cc1nc(NC(=O)OC(C)(C)C)c2ccc(Br)cc2n1.
What is the InChIKey of tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate?
The InChIKey is RLYGYBSUZOBZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-8-16-11-7-9(15)5-6-10(11)12(17-8)18-13(19)20-14(2,3)4/h5-7H,1-4H3,(H,16,17,18,19).
What are the key properties of tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate?
tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate has a molecular weight of 338.21 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate is sourced from PubChem (CID 164517252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).