2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine

C18H18BrN3O2 — CID 163213187

IUPAC2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine
SMILESCOc1cc(Br)c(Cc2nc(N)c3cccc(C)c3n2)c(OC)c1
InChIInChI=1S/C18H18BrN3O2/c1-10-5-4-6-12-17(10)21-16(22-18(12)20)9-13-14(19)7-11(23-2)8-15(13)24-3/h4-8H,9H2,1-3H3,(H2,20,21,22)
InChIKeyGBNAEUKFNVMXKM-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.89
Rot. Bonds4

About 2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine

2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine (PubChem CID 163213187) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine
PubChem CID163213187
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine
SMILESCOc1cc(Br)c(Cc2nc(N)c3cccc(C)c3n2)c(OC)c1
InChIInChI=1S/C18H18BrN3O2/c1-10-5-4-6-12-17(10)21-16(22-18(12)20)9-13-14(19)7-11(23-2)8-15(13)24-3/h4-8H,9H2,1-3H3,(H2,20,21,22)
InChIKeyGBNAEUKFNVMXKM-UHFFFAOYSA-N
XLogP3.89
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-8-methylquinazolin-4-amine
CID 64983688
8-bromo-2-(chloromethyl)quinazolin-4-amine
CID 155601133
2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025987
2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
CID 117437716
1-bromo-2-(isocyanatomethyl)-3,5-dimethoxybenzene
CID 117432552
3-bromo-8-methoxyquinolin-2-amine
CID 97181839
5,7-dimethoxy-3-methylquinolin-2-amine
CID 63232255
3-ethyl-8-methoxy-2-methylquinolin-4-amine
CID 62203733
11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
CID 11361877
1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene
CID 22900363
2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine
CID 84641253
4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106594

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine?
The IUPAC name of 2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine (CID 163213187) is 2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine.
What is the SMILES notation for 2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine?
The canonical SMILES for 2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine is COc1cc(Br)c(Cc2nc(N)c3cccc(C)c3n2)c(OC)c1.
What is the InChIKey of 2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine?
The InChIKey is GBNAEUKFNVMXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-10-5-4-6-12-17(10)21-16(22-18(12)20)9-13-14(19)7-11(23-2)8-15(13)24-3/h4-8H,9H2,1-3H3,(H2,20,21,22).
What are the key properties of 2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine?
2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine has a molecular weight of 388.27 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine is sourced from PubChem (CID 163213187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).