2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one

C18H21N3O3 — CID 138009692

IUPAC2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one
SMILESCc1nc2cc(C(=O)N3CCCCC34CCOC4)ccc2c(=O)[nH]1
InChIInChI=1S/C18H21N3O3/c1-12-19-15-10-13(4-5-14(15)16(22)20-12)17(23)21-8-3-2-6-18(21)7-9-24-11-18/h4-5,10H,2-3,6-9,11H2,1H3,(H,19,20,22)
InChIKeyYGIJOPQVKWNICD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.02
Rot. Bonds1

About 2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one

2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one (PubChem CID 138009692) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one
PubChem CID138009692
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one
SMILESCc1nc2cc(C(=O)N3CCCCC34CCOC4)ccc2c(=O)[nH]1
InChIInChI=1S/C18H21N3O3/c1-12-19-15-10-13(4-5-14(15)16(22)20-12)17(23)21-8-3-2-6-18(21)7-9-24-11-18/h4-5,10H,2-3,6-9,11H2,1H3,(H,19,20,22)
InChIKeyYGIJOPQVKWNICD-UHFFFAOYSA-N
XLogP2.02
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one (CID 138009692) is 2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one is Cc1nc2cc(C(=O)N3CCCCC34CCOC4)ccc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one?
The InChIKey is YGIJOPQVKWNICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-19-15-10-13(4-5-14(15)16(22)20-12)17(23)21-8-3-2-6-18(21)7-9-24-11-18/h4-5,10H,2-3,6-9,11H2,1H3,(H,19,20,22).
What are the key properties of 2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one?
2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one has a molecular weight of 327.38 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 138009692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).