8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one

C19H26N4O2 — CID 170753566

IUPAC8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one
SMILESCc1cc(C(C)N)c2nc(N3CCCC4(COC4)C3)n(C)c(=O)c2c1
InChIInChI=1S/C19H26N4O2/c1-12-7-14(13(2)20)16-15(8-12)17(24)22(3)18(21-16)23-6-4-5-19(9-23)10-25-11-19/h7-8,13H,4-6,9-11,20H2,1-3H3
InChIKeyGIPWDOPZMPPIBB-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.88
Rot. Bonds2

About 8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one

8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one (PubChem CID 170753566) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one.

Molecular Properties

Compound Name8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one
PubChem CID170753566
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one
SMILESCc1cc(C(C)N)c2nc(N3CCCC4(COC4)C3)n(C)c(=O)c2c1
InChIInChI=1S/C19H26N4O2/c1-12-7-14(13(2)20)16-15(8-12)17(24)22(3)18(21-16)23-6-4-5-19(9-23)10-25-11-19/h7-8,13H,4-6,9-11,20H2,1-3H3
InChIKeyGIPWDOPZMPPIBB-UHFFFAOYSA-N
XLogP1.88
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 170753923
8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170754048
2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one
CID 170438426
8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one
CID 169155366
8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169154717
8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753277
8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one
CID 170753768
2-[1-[2-(3,3-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 170450467
8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one
CID 169155141
8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one
CID 169155300
(3R)-5-[(1R)-1-aminoethyl]-7-methylspiro[1,2-dihydropyrrolo[2,1-b]quinazoline-3,3'-oxolane]-9-one
CID 171839328
4-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]thiophene-3-carboxylic acid
CID 170754055

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one?
The IUPAC name of 8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one (CID 170753566) is 8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one.
What is the SMILES notation for 8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one?
The canonical SMILES for 8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one is Cc1cc(C(C)N)c2nc(N3CCCC4(COC4)C3)n(C)c(=O)c2c1.
What is the InChIKey of 8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one?
The InChIKey is GIPWDOPZMPPIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-7-14(13(2)20)16-15(8-12)17(24)22(3)18(21-16)23-6-4-5-19(9-23)10-25-11-19/h7-8,13H,4-6,9-11,20H2,1-3H3.
What are the key properties of 8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one?
8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one has a molecular weight of 342.44 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one is sourced from PubChem (CID 170753566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).