2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine

C18H24N4O2 — CID 134117178

IUPAC2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CC4CCC(CC4)C3)nc(N)c2cc1OC
InChIInChI=1S/C18H24N4O2/c1-23-15-7-13-14(8-16(15)24-2)20-18(21-17(13)19)22-9-11-3-4-12(10-22)6-5-11/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyCXTJIBRPGBHGBS-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.86
Rot. Bonds3

About 2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine

2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 134117178) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID134117178
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CC4CCC(CC4)C3)nc(N)c2cc1OC
InChIInChI=1S/C18H24N4O2/c1-23-15-7-13-14(8-16(15)24-2)20-18(21-17(13)19)22-9-11-3-4-12(10-22)6-5-11/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyCXTJIBRPGBHGBS-UHFFFAOYSA-N
XLogP2.86
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine with MolForge

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Related Compounds

2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 155912195
6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
CID 133299996
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 133344447
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-thione
CID 14231098
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
CID 54550308
6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine
CID 166215953
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
1-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]cyclopentan-1-ol
CID 57012621
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908

Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine (CID 134117178) is 2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(N3CC4CCC(CC4)C3)nc(N)c2cc1OC.
What is the InChIKey of 2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is CXTJIBRPGBHGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-23-15-7-13-14(8-16(15)24-2)20-18(21-17(13)19)22-9-11-3-4-12(10-22)6-5-11/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine?
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 134117178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).