6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine

C18H18BrN3O2 — CID 87021045

IUPAC6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCCOc1ccc(CNc2ncnc3ccc(Br)cc23)cc1OC
InChIInChI=1S/C18H18BrN3O2/c1-3-24-16-7-4-12(8-17(16)23-2)10-20-18-14-9-13(19)5-6-15(14)21-11-22-18/h4-9,11H,3,10H2,1-2H3,(H,20,21,22)
InChIKeyUAKTYOUAHLQJSE-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.41
Rot. Bonds6

About 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine

6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 87021045) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID87021045
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCCOc1ccc(CNc2ncnc3ccc(Br)cc23)cc1OC
InChIInChI=1S/C18H18BrN3O2/c1-3-24-16-7-4-12(8-17(16)23-2)10-20-18-14-9-13(19)5-6-15(14)21-11-22-18/h4-9,11H,3,10H2,1-2H3,(H,20,21,22)
InChIKeyUAKTYOUAHLQJSE-UHFFFAOYSA-N
XLogP4.41
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 87021028
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 133373882
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
5-bromo-2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]aniline
CID 63478094
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine (CID 87021045) is 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine is CCOc1ccc(CNc2ncnc3ccc(Br)cc23)cc1OC.
What is the InChIKey of 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is UAKTYOUAHLQJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-3-24-16-7-4-12(8-17(16)23-2)10-20-18-14-9-13(19)5-6-15(14)21-11-22-18/h4-9,11H,3,10H2,1-2H3,(H,20,21,22).
What are the key properties of 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine?
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 388.27 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 87021045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).