4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine

C18H28N4O — CID 46881931

IUPAC4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine
SMILESCN1CCC(Oc2nc(N)nc3c2CCCC32CCCC2)CC1
InChIInChI=1S/C18H28N4O/c1-22-11-6-13(7-12-22)23-16-14-5-4-10-18(8-2-3-9-18)15(14)20-17(19)21-16/h13H,2-12H2,1H3,(H2,19,20,21)
InChIKeyWGLAOYZEGTWIIG-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.68
Rot. Bonds2

About 4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine

4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine (PubChem CID 46881931) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine
PubChem CID46881931
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine
SMILESCN1CCC(Oc2nc(N)nc3c2CCCC32CCCC2)CC1
InChIInChI=1S/C18H28N4O/c1-22-11-6-13(7-12-22)23-16-14-5-4-10-18(8-2-3-9-18)15(14)20-17(19)21-16/h13H,2-12H2,1H3,(H2,19,20,21)
InChIKeyWGLAOYZEGTWIIG-UHFFFAOYSA-N
XLogP2.68
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine?
The IUPAC name of 4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine (CID 46881931) is 4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine is CN1CCC(Oc2nc(N)nc3c2CCCC32CCCC2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine?
The InChIKey is WGLAOYZEGTWIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-22-11-6-13(7-12-22)23-16-14-5-4-10-18(8-2-3-9-18)15(14)20-17(19)21-16/h13H,2-12H2,1H3,(H2,19,20,21).
What are the key properties of 4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine?
4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine has a molecular weight of 316.45 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine is sourced from PubChem (CID 46881931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).