8-bromo-N-(2-methoxyethyl)quinazolin-4-amine

C11H12BrN3O — CID 110431527

IUPAC8-bromo-N-(2-methoxyethyl)quinazolin-4-amine
SMILESCOCCNc1ncnc2c(Br)cccc12
InChIInChI=1S/C11H12BrN3O/c1-16-6-5-13-11-8-3-2-4-9(12)10(8)14-7-15-11/h2-4,7H,5-6H2,1H3,(H,13,14,15)
InChIKeyFREUXNYCDXSHNE-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.45
Rot. Bonds4

About 8-bromo-N-(2-methoxyethyl)quinazolin-4-amine

8-bromo-N-(2-methoxyethyl)quinazolin-4-amine (PubChem CID 110431527) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 8-bromo-N-(2-methoxyethyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-(2-methoxyethyl)quinazolin-4-amine
PubChem CID110431527
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name8-bromo-N-(2-methoxyethyl)quinazolin-4-amine
SMILESCOCCNc1ncnc2c(Br)cccc12
InChIInChI=1S/C11H12BrN3O/c1-16-6-5-13-11-8-3-2-4-9(12)10(8)14-7-15-11/h2-4,7H,5-6H2,1H3,(H,13,14,15)
InChIKeyFREUXNYCDXSHNE-UHFFFAOYSA-N
XLogP2.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine
CID 110431549
8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine
CID 110432998
5-bromo-N-(4-methoxybutyl)isoquinolin-1-amine
CID 113346423
8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine
CID 110434524
5-bromo-N-[3-(2-methoxyethoxy)propyl]isoquinolin-1-amine
CID 103847031
1-N-(2-methoxyethyl)isoquinoline-1,5-diamine
CID 82570231
2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
CID 110431564
12-bromo-N-(2-methoxyethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 110432304
8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine
CID 94415325
N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine
CID 3232599
N-(2-methoxyethyl)pteridin-4-amine
CID 35197462
1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110434527

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(2-methoxyethyl)quinazolin-4-amine?
The IUPAC name of 8-bromo-N-(2-methoxyethyl)quinazolin-4-amine (CID 110431527) is 8-bromo-N-(2-methoxyethyl)quinazolin-4-amine.
What is the SMILES notation for 8-bromo-N-(2-methoxyethyl)quinazolin-4-amine?
The canonical SMILES for 8-bromo-N-(2-methoxyethyl)quinazolin-4-amine is COCCNc1ncnc2c(Br)cccc12.
What is the InChIKey of 8-bromo-N-(2-methoxyethyl)quinazolin-4-amine?
The InChIKey is FREUXNYCDXSHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-16-6-5-13-11-8-3-2-4-9(12)10(8)14-7-15-11/h2-4,7H,5-6H2,1H3,(H,13,14,15).
What are the key properties of 8-bromo-N-(2-methoxyethyl)quinazolin-4-amine?
8-bromo-N-(2-methoxyethyl)quinazolin-4-amine has a molecular weight of 282.14 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(2-methoxyethyl)quinazolin-4-amine is sourced from PubChem (CID 110431527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).