2-bromo-6,7,8-trimethoxyquinazolin-4-amine

C11H12BrN3O3 — CID 154093660

IUPAC2-bromo-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1cc2c(N)nc(Br)nc2c(OC)c1OC
InChIInChI=1S/C11H12BrN3O3/c1-16-6-4-5-7(9(18-3)8(6)17-2)14-11(12)15-10(5)13/h4H,1-3H3,(H2,13,14,15)
InChIKeyYRLUGFAUNQFZEB-UHFFFAOYSA-N
MW314.14 g/mol
LogP2.00
Rot. Bonds3

About 2-bromo-6,7,8-trimethoxyquinazolin-4-amine

2-bromo-6,7,8-trimethoxyquinazolin-4-amine (PubChem CID 154093660) has the molecular formula C11H12BrN3O3 and a molecular weight of 314.14 g/mol. Its IUPAC name is 2-bromo-6,7,8-trimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-bromo-6,7,8-trimethoxyquinazolin-4-amine
PubChem CID154093660
Molecular FormulaC11H12BrN3O3
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name2-bromo-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1cc2c(N)nc(Br)nc2c(OC)c1OC
InChIInChI=1S/C11H12BrN3O3/c1-16-6-4-5-7(9(18-3)8(6)17-2)14-11(12)15-10(5)13/h4H,1-3H3,(H2,13,14,15)
InChIKeyYRLUGFAUNQFZEB-UHFFFAOYSA-N
XLogP2.00
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7,8-trimethoxy-2-N,2-N-dipropylquinazoline-2,4-diamine
CID 157201647
bis(6,7,8-trimethoxy-2-piperazin-1-ylquinazolin-4-amine);hydrate
CID 70479861
2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine
CID 138627758
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853
butyl 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate
CID 134115334
5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 66303625
[4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone
CID 70580702
2,3,5,6-tetramethoxyaniline
CID 19093015
6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine
CID 110433384
4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol
CID 150058857
4-chloro-6,7-dimethoxyquinolin-2-amine
CID 141028770
5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine
CID 63232490

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,7,8-trimethoxyquinazolin-4-amine?
The IUPAC name of 2-bromo-6,7,8-trimethoxyquinazolin-4-amine (CID 154093660) is 2-bromo-6,7,8-trimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-bromo-6,7,8-trimethoxyquinazolin-4-amine?
The canonical SMILES for 2-bromo-6,7,8-trimethoxyquinazolin-4-amine is COc1cc2c(N)nc(Br)nc2c(OC)c1OC.
What is the InChIKey of 2-bromo-6,7,8-trimethoxyquinazolin-4-amine?
The InChIKey is YRLUGFAUNQFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3/c1-16-6-4-5-7(9(18-3)8(6)17-2)14-11(12)15-10(5)13/h4H,1-3H3,(H2,13,14,15).
What are the key properties of 2-bromo-6,7,8-trimethoxyquinazolin-4-amine?
2-bromo-6,7,8-trimethoxyquinazolin-4-amine has a molecular weight of 314.14 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,7,8-trimethoxyquinazolin-4-amine is sourced from PubChem (CID 154093660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).