2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one

C15H17N3O — CID 137266356

IUPAC2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCCC3(CC3)C2)nc2ccccc12
InChIInChI=1S/C15H17N3O/c19-13-11-4-1-2-5-12(11)16-14(17-13)18-9-3-6-15(10-18)7-8-15/h1-2,4-5H,3,6-10H2,(H,16,17,19)
InChIKeyCGJKTVHNTGETFQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.30
Rot. Bonds1

About 2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one

2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one (PubChem CID 137266356) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
PubChem CID137266356
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCCC3(CC3)C2)nc2ccccc12
InChIInChI=1S/C15H17N3O/c19-13-11-4-1-2-5-12(11)16-14(17-13)18-9-3-6-15(10-18)7-8-15/h1-2,4-5H,3,6-10H2,(H,16,17,19)
InChIKeyCGJKTVHNTGETFQ-UHFFFAOYSA-N
XLogP2.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116
2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one
CID 137269546
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 146134599
2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102850634
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138553993

Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one (CID 137266356) is 2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one is O=c1[nH]c(N2CCCC3(CC3)C2)nc2ccccc12.
What is the InChIKey of 2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one?
The InChIKey is CGJKTVHNTGETFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-13-11-4-1-2-5-12(11)16-14(17-13)18-9-3-6-15(10-18)7-8-15/h1-2,4-5H,3,6-10H2,(H,16,17,19).
What are the key properties of 2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one?
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one has a molecular weight of 255.32 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 137266356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).