6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine

C17H16BrN3O2 — CID 67085882

IUPAC6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(Br)cc23)c(OC)c1
InChIInChI=1S/C17H16BrN3O2/c1-22-13-5-3-11(16(8-13)23-2)9-19-17-14-7-12(18)4-6-15(14)20-10-21-17/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyPRRDXULBKQOEQK-UHFFFAOYSA-N
MW374.24 g/mol
LogP4.02
Rot. Bonds5

About 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine

6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 67085882) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
PubChem CID67085882
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(Br)cc23)c(OC)c1
InChIInChI=1S/C17H16BrN3O2/c1-22-13-5-3-11(16(8-13)23-2)9-19-17-14-7-12(18)4-6-15(14)20-10-21-17/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyPRRDXULBKQOEQK-UHFFFAOYSA-N
XLogP4.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine
CID 155341296
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577
N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
CID 91644459
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 91641684
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 87021028
N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184758
4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxylic acid
CID 67042839

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine (CID 67085882) is 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine is COc1ccc(CNc2ncnc3ccc(Br)cc23)c(OC)c1.
What is the InChIKey of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is PRRDXULBKQOEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-22-13-5-3-11(16(8-13)23-2)9-19-17-14-7-12(18)4-6-15(14)20-10-21-17/h3-8,10H,9H2,1-2H3,(H,19,20,21).
What are the key properties of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 374.24 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 67085882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).