5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine

C19H25N3O — CID 133377878

IUPAC5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
SMILESCc1cccc2ncnc(NC3CCOC4(CCCCC4)C3)c12
InChIInChI=1S/C19H25N3O/c1-14-6-5-7-16-17(14)18(21-13-20-16)22-15-8-11-23-19(12-15)9-3-2-4-10-19/h5-7,13,15H,2-4,8-12H2,1H3,(H,20,21,22)
InChIKeySABRGPMTKAFJPJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.23
Rot. Bonds2

About 5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine

5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine (PubChem CID 133377878) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
PubChem CID133377878
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
SMILESCc1cccc2ncnc(NC3CCOC4(CCCCC4)C3)c12
InChIInChI=1S/C19H25N3O/c1-14-6-5-7-16-17(14)18(21-13-20-16)22-15-8-11-23-19(12-15)9-3-2-4-10-19/h5-7,13,15H,2-4,8-12H2,1H3,(H,20,21,22)
InChIKeySABRGPMTKAFJPJ-UHFFFAOYSA-N
XLogP4.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine?
The IUPAC name of 5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine (CID 133377878) is 5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine.
What is the SMILES notation for 5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine?
The canonical SMILES for 5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine is Cc1cccc2ncnc(NC3CCOC4(CCCCC4)C3)c12.
What is the InChIKey of 5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine?
The InChIKey is SABRGPMTKAFJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-6-5-7-16-17(14)18(21-13-20-16)22-15-8-11-23-19(12-15)9-3-2-4-10-19/h5-7,13,15H,2-4,8-12H2,1H3,(H,20,21,22).
What are the key properties of 5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine?
5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine is sourced from PubChem (CID 133377878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).