4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline

C16H20N4O2 — CID 156824030

IUPAC4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CC4CNC(C4)C3)c2cc1OC
InChIInChI=1S/C16H20N4O2/c1-21-14-4-12-13(5-15(14)22-2)18-9-19-16(12)20-7-10-3-11(8-20)17-6-10/h4-5,9-11,17H,3,6-8H2,1-2H3
InChIKeyOJICDWIRACLTTQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.45
Rot. Bonds3

About 4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline

4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline (PubChem CID 156824030) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline
PubChem CID156824030
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CC4CNC(C4)C3)c2cc1OC
InChIInChI=1S/C16H20N4O2/c1-21-14-4-12-13(5-15(14)22-2)18-9-19-16(12)20-7-10-3-11(8-20)17-6-10/h4-5,9-11,17H,3,6-8H2,1-2H3
InChIKeyOJICDWIRACLTTQ-UHFFFAOYSA-N
XLogP1.45
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435774
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide
CID 171705302
3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid
CID 163274731
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
1-(6-ethoxy-7-methoxyquinazolin-4-yl)-5-phenylpiperidin-3-ol
CID 11581681
6,7-dimethoxy-4-pyrrol-1-ylquinazoline
CID 141163176
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine
CID 163275192
4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 11654032
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline?
The IUPAC name of 4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline (CID 156824030) is 4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline is COc1cc2ncnc(N3CC4CNC(C4)C3)c2cc1OC.
What is the InChIKey of 4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline?
The InChIKey is OJICDWIRACLTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-21-14-4-12-13(5-15(14)22-2)18-9-19-16(12)20-7-10-3-11(8-20)17-6-10/h4-5,9-11,17H,3,6-8H2,1-2H3.
What are the key properties of 4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline?
4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline has a molecular weight of 300.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline is sourced from PubChem (CID 156824030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).