8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one

C19H24BrN3O — CID 169099521

IUPAC8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one
SMILESCc1cc(Br)c2nc(N3CCC(C)(C)CC3)n(C3CC3)c(=O)c2c1
InChIInChI=1S/C19H24BrN3O/c1-12-10-14-16(15(20)11-12)21-18(23(17(14)24)13-4-5-13)22-8-6-19(2,3)7-9-22/h10-11,13H,4-9H2,1-3H3
InChIKeySUUZUDYVBUUSOF-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.43
Rot. Bonds2

About 8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one

8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one (PubChem CID 169099521) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one.

Molecular Properties

Compound Name8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one
PubChem CID169099521
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one
SMILESCc1cc(Br)c2nc(N3CCC(C)(C)CC3)n(C3CC3)c(=O)c2c1
InChIInChI=1S/C19H24BrN3O/c1-12-10-14-16(15(20)11-12)21-18(23(17(14)24)13-4-5-13)22-8-6-19(2,3)7-9-22/h10-11,13H,4-9H2,1-3H3
InChIKeySUUZUDYVBUUSOF-UHFFFAOYSA-N
XLogP4.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one?
The IUPAC name of 8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one (CID 169099521) is 8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one.
What is the SMILES notation for 8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one?
The canonical SMILES for 8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one is Cc1cc(Br)c2nc(N3CCC(C)(C)CC3)n(C3CC3)c(=O)c2c1.
What is the InChIKey of 8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one?
The InChIKey is SUUZUDYVBUUSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-12-10-14-16(15(20)11-12)21-18(23(17(14)24)13-4-5-13)22-8-6-19(2,3)7-9-22/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one?
8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one has a molecular weight of 390.33 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one is sourced from PubChem (CID 169099521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).