2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine

C20H21BrN4O2 — CID 154872950

IUPAC2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCc4c(ccc(Br)c4C)C3)nc(N)c2cc1OC
InChIInChI=1S/C20H21BrN4O2/c1-11-13-6-7-25(10-12(13)4-5-15(11)21)20-23-16-9-18(27-3)17(26-2)8-14(16)19(22)24-20/h4-5,8-9H,6-7,10H2,1-3H3,(H2,22,23,24)
InChIKeyBMHCMHUYVAVRBP-UHFFFAOYSA-N
MW429.32 g/mol
LogP3.86
Rot. Bonds3

About 2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine

2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 154872950) has the molecular formula C20H21BrN4O2 and a molecular weight of 429.32 g/mol. Its IUPAC name is 2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID154872950
Molecular FormulaC20H21BrN4O2
Molecular Weight429.32 g/mol
Exact Mass428.08
IUPAC Name2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCc4c(ccc(Br)c4C)C3)nc(N)c2cc1OC
InChIInChI=1S/C20H21BrN4O2/c1-11-13-6-7-25(10-12(13)4-5-15(11)21)20-23-16-9-18(27-3)17(26-2)8-14(16)19(22)24-20/h4-5,8-9H,6-7,10H2,1-3H3,(H2,22,23,24)
InChIKeyBMHCMHUYVAVRBP-UHFFFAOYSA-N
XLogP3.86
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine with MolForge

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Related Compounds

6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 21416702
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-thione
CID 14231098
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
CID 163462957
CID 163462957
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
CID 163462958
2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 71683147
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
CID 54550308
6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine
CID 18765184

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine (CID 154872950) is 2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(N3CCc4c(ccc(Br)c4C)C3)nc(N)c2cc1OC.
What is the InChIKey of 2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is BMHCMHUYVAVRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O2/c1-11-13-6-7-25(10-12(13)4-5-15(11)21)20-23-16-9-18(27-3)17(26-2)8-14(16)19(22)24-20/h4-5,8-9H,6-7,10H2,1-3H3,(H2,22,23,24).
What are the key properties of 2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine?
2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 429.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 154872950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).