8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane

C19H28BrN3O — CID 169154783

IUPAC8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane
SMILESCC.Cc1cc(Br)c2nc(N3CCC(C)(C)CC3)n(C)c(=O)c2c1
InChIInChI=1S/C17H22BrN3O.C2H6/c1-11-9-12-14(13(18)10-11)19-16(20(4)15(12)22)21-7-5-17(2,3)6-8-21;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyDMHQVJZABVOZSX-UHFFFAOYSA-N
MW394.36 g/mol
LogP4.66
Rot. Bonds1

About 8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane

8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane (PubChem CID 169154783) has the molecular formula C19H28BrN3O and a molecular weight of 394.36 g/mol. Its IUPAC name is 8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane.

Molecular Properties

Compound Name8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane
PubChem CID169154783
Molecular FormulaC19H28BrN3O
Molecular Weight394.36 g/mol
Exact Mass393.14
IUPAC Name8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane
SMILESCC.Cc1cc(Br)c2nc(N3CCC(C)(C)CC3)n(C)c(=O)c2c1
InChIInChI=1S/C17H22BrN3O.C2H6/c1-11-9-12-14(13(18)10-11)19-16(20(4)15(12)22)21-7-5-17(2,3)6-8-21;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyDMHQVJZABVOZSX-UHFFFAOYSA-N
XLogP4.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane with MolForge

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Related Compounds

8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one
CID 169099521
8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one
CID 169155300
2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one
CID 170438426
8-bromo-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169155207
2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one
CID 169154876
tert-butyl-[1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]-oxidosulfanium
CID 174317987
6-bromo-2-(4,4-difluoropiperidin-1-yl)-8-iodo-3-methylquinazolin-4-one
CID 169212493
8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one
CID 169155220
8-bromo-3,6-dimethyl-2-(oxetan-3-yl)quinazolin-4-one
CID 169154517
8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde
CID 170753519
8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753277
8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one
CID 170450465

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane?
The IUPAC name of 8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane (CID 169154783) is 8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane.
What is the SMILES notation for 8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane?
The canonical SMILES for 8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane is CC.Cc1cc(Br)c2nc(N3CCC(C)(C)CC3)n(C)c(=O)c2c1.
What is the InChIKey of 8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane?
The InChIKey is DMHQVJZABVOZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O.C2H6/c1-11-9-12-14(13(18)10-11)19-16(20(4)15(12)22)21-7-5-17(2,3)6-8-21;1-2/h9-10H,5-8H2,1-4H3;1-2H3.
What are the key properties of 8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane?
8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane has a molecular weight of 394.36 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane is sourced from PubChem (CID 169154783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).