(1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane

C18H23N3O — CID 124733481

IUPAC(1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane
SMILESCc1cccc2ncnc(N3CCC4(CCOCC4)[C@H]3C)c12
InChIInChI=1S/C18H23N3O/c1-13-4-3-5-15-16(13)17(20-12-19-15)21-9-6-18(14(21)2)7-10-22-11-8-18/h3-5,12,14H,6-11H2,1-2H3/t14-/m1/s1
InChIKeyLAXCRTRXQQTALW-CQSZACIVSA-N
MW297.40 g/mol
LogP3.33
Rot. Bonds1

About (1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane

(1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane (PubChem CID 124733481) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name(1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane
PubChem CID124733481
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane
SMILESCc1cccc2ncnc(N3CCC4(CCOCC4)[C@H]3C)c12
InChIInChI=1S/C18H23N3O/c1-13-4-3-5-15-16(13)17(20-12-19-15)21-9-6-18(14(21)2)7-10-22-11-8-18/h3-5,12,14H,6-11H2,1-2H3/t14-/m1/s1
InChIKeyLAXCRTRXQQTALW-CQSZACIVSA-N
XLogP3.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of (1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane (CID 124733481) is (1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for (1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for (1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane is Cc1cccc2ncnc(N3CCC4(CCOCC4)[C@H]3C)c12.
What is the InChIKey of (1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is LAXCRTRXQQTALW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-4-3-5-15-16(13)17(20-12-19-15)21-9-6-18(14(21)2)7-10-22-11-8-18/h3-5,12,14H,6-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane?
(1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 297.40 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-2-(5-methylquinazolin-4-yl)-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 124733481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).