N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine

C22H24N4O — CID 133377678

IUPACN-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NC3CCOC4(CCCC4)C3)c3ccccc3n2)c1
InChIInChI=1S/C22H24N4O/c1-2-8-19-18(7-1)21(26-20(25-19)16-6-5-12-23-15-16)24-17-9-13-27-22(14-17)10-3-4-11-22/h1-2,5-8,12,15,17H,3-4,9-11,13-14H2,(H,24,25,26)
InChIKeyZIQJOOVGOPCNGT-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.60
Rot. Bonds3

About N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine

N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 133377678) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID133377678
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NC3CCOC4(CCCC4)C3)c3ccccc3n2)c1
InChIInChI=1S/C22H24N4O/c1-2-8-19-18(7-1)21(26-20(25-19)16-6-5-12-23-15-16)24-17-9-13-27-22(14-17)10-3-4-11-22/h1-2,5-8,12,15,17H,3-4,9-11,13-14H2,(H,24,25,26)
InChIKeyZIQJOOVGOPCNGT-UHFFFAOYSA-N
XLogP4.60
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine (CID 133377678) is N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine is c1cncc(-c2nc(NC3CCOC4(CCCC4)C3)c3ccccc3n2)c1.
What is the InChIKey of N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is ZIQJOOVGOPCNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-8-19-18(7-1)21(26-20(25-19)16-6-5-12-23-15-16)24-17-9-13-27-22(14-17)10-3-4-11-22/h1-2,5-8,12,15,17H,3-4,9-11,13-14H2,(H,24,25,26).
What are the key properties of N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine?
N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 133377678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).