1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone

C17H19N3O3 — CID 110702838

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)OCCO3)c2ccccc2n1
InChIInChI=1S/C17H19N3O3/c1-12-18-14-5-3-2-4-13(14)15(19-12)16(21)20-8-6-17(7-9-20)22-10-11-23-17/h2-5H,6-11H2,1H3
InChIKeyXUPFHKKHHSHDDM-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.92
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone (PubChem CID 110702838) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone
PubChem CID110702838
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)OCCO3)c2ccccc2n1
InChIInChI=1S/C17H19N3O3/c1-12-18-14-5-3-2-4-13(14)15(19-12)16(21)20-8-6-17(7-9-20)22-10-11-23-17/h2-5H,6-11H2,1H3
InChIKeyXUPFHKKHHSHDDM-UHFFFAOYSA-N
XLogP1.92
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone (CID 110702838) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone is Cc1nc(C(=O)N2CCC3(CC2)OCCO3)c2ccccc2n1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone?
The InChIKey is XUPFHKKHHSHDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-18-14-5-3-2-4-13(14)15(19-12)16(21)20-8-6-17(7-9-20)22-10-11-23-17/h2-5H,6-11H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone is sourced from PubChem (CID 110702838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).