8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

C15H18N4O — CID 80818608

IUPAC8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1nc(N2C3CCC2CC(O)C3)c2ccccc2n1
InChIInChI=1S/C15H18N4O/c16-15-17-13-4-2-1-3-12(13)14(18-15)19-9-5-6-10(19)8-11(20)7-9/h1-4,9-11,20H,5-8H2,(H2,16,17,18)
InChIKeyODKBIMWKSQPZEY-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.70
Rot. Bonds1

About 8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80818608) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80818608
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1nc(N2C3CCC2CC(O)C3)c2ccccc2n1
InChIInChI=1S/C15H18N4O/c16-15-17-13-4-2-1-3-12(13)14(18-15)19-9-5-6-10(19)8-11(20)7-9/h1-4,9-11,20H,5-8H2,(H2,16,17,18)
InChIKeyODKBIMWKSQPZEY-UHFFFAOYSA-N
XLogP1.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

4-Quinazolinamine, 2-(4-morpholinyl)-
CID 660065
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941
2-{[2-(Phenylamino)quinazolin-4-yl]amino}ethanol
CID 1816791
2-(4-{4-[(1-Phenylethyl)amino]quinazolin-2-yl}piperazin-1-yl)ethanol
CID 2989844
2-(Piperidin-1-YL)quinazolin-4-amine hydrochloride
CID 6603338
(3S)-3-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol
CID 71041303
(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol
CID 71041781
(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol
CID 71041789
(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]heptan-1-ol
CID 71041792
(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol
CID 71041841
(S)-3-((2-Amino-8-fluoroquinazolin-4-yl)amino)hexan-1-ol
CID 71041846
(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol
CID 71041848

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 80818608) is 8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is Nc1nc(N2C3CCC2CC(O)C3)c2ccccc2n1.
What is the InChIKey of 8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ODKBIMWKSQPZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-15-17-13-4-2-1-3-12(13)14(18-15)19-9-5-6-10(19)8-11(20)7-9/h1-4,9-11,20H,5-8H2,(H2,16,17,18).
What are the key properties of 8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 270.34 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80818608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).