2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one

C18H22BrN3O — CID 170438426

IUPAC2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one
SMILESCc1cc(Br)c2nc(N3CC4(CCCCC4)C3)n(C)c(=O)c2c1
InChIInChI=1S/C18H22BrN3O/c1-12-8-13-15(14(19)9-12)20-17(21(2)16(13)23)22-10-18(11-22)6-4-3-5-7-18/h8-9H,3-7,10-11H2,1-2H3
InChIKeyAWHVEMHRAGBDTB-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.77
Rot. Bonds1

About 2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one

2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one (PubChem CID 170438426) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one
PubChem CID170438426
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one
SMILESCc1cc(Br)c2nc(N3CC4(CCCCC4)C3)n(C)c(=O)c2c1
InChIInChI=1S/C18H22BrN3O/c1-12-8-13-15(14(19)9-12)20-17(21(2)16(13)23)22-10-18(11-22)6-4-3-5-7-18/h8-9H,3-7,10-11H2,1-2H3
InChIKeyAWHVEMHRAGBDTB-UHFFFAOYSA-N
XLogP3.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one
CID 169155300
8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane
CID 169154783
2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one
CID 169154876
8-bromo-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169155207
8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one
CID 170753566
8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one
CID 169099521
8-bromo-3,6-dimethyl-2-(oxetan-3-yl)quinazolin-4-one
CID 169154517
8-bromo-3,6-dimethyl-2-pyridin-4-ylquinazolin-4-one
CID 170694724
8-bromo-3,6-dimethyl-2-(1H-pyrazol-5-yl)quinazolin-4-one
CID 169212501
8-bromo-3,6-dimethyl-2-(1-methylpyrazol-3-yl)quinazolin-4-one
CID 169154961
8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one
CID 170450465
8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde
CID 170753519

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one?
The IUPAC name of 2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one (CID 170438426) is 2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one is Cc1cc(Br)c2nc(N3CC4(CCCCC4)C3)n(C)c(=O)c2c1.
What is the InChIKey of 2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one?
The InChIKey is AWHVEMHRAGBDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-12-8-13-15(14(19)9-12)20-17(21(2)16(13)23)22-10-18(11-22)6-4-3-5-7-18/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of 2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one?
2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one has a molecular weight of 376.30 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 170438426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).