7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane

C16H23N3O — CID 133472363

IUPAC7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCc1nc2c(c(N3CCC4(CCOC4)C3)n1)CCCC2
InChIInChI=1S/C16H23N3O/c1-12-17-14-5-3-2-4-13(14)15(18-12)19-8-6-16(10-19)7-9-20-11-16/h2-11H2,1H3
InChIKeySIJUOJLVSICNBU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds1

About 7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane

7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 133472363) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID133472363
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCc1nc2c(c(N3CCC4(CCOC4)C3)n1)CCCC2
InChIInChI=1S/C16H23N3O/c1-12-17-14-5-3-2-4-13(14)15(18-12)19-8-6-16(10-19)7-9-20-11-16/h2-11H2,1H3
InChIKeySIJUOJLVSICNBU-UHFFFAOYSA-N
XLogP2.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane (CID 133472363) is 7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane is Cc1nc2c(c(N3CCC4(CCOC4)C3)n1)CCCC2.
What is the InChIKey of 7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is SIJUOJLVSICNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-17-14-5-3-2-4-13(14)15(18-12)19-8-6-16(10-19)7-9-20-11-16/h2-11H2,1H3.
What are the key properties of 7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 273.38 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 133472363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).