7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one

C22H23BrClN3O — CID 135165593

IUPAC7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)nc(N2CCCCC2)c2cc(Cl)c(Br)cc21
InChIInChI=1S/C22H23BrClN3O/c1-14(2)15-8-4-5-9-19(15)27-20-13-17(23)18(24)12-16(20)21(25-22(27)28)26-10-6-3-7-11-26/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3
InChIKeyLQEUMPPZTPSZOM-UHFFFAOYSA-N
MW460.80 g/mol
LogP5.92
Rot. Bonds3

About 7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one

7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 135165593) has the molecular formula C22H23BrClN3O and a molecular weight of 460.80 g/mol. Its IUPAC name is 7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one
PubChem CID135165593
Molecular FormulaC22H23BrClN3O
Molecular Weight460.80 g/mol
Exact Mass459.07
IUPAC Name7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)nc(N2CCCCC2)c2cc(Cl)c(Br)cc21
InChIInChI=1S/C22H23BrClN3O/c1-14(2)15-8-4-5-9-19(15)27-20-13-17(23)18(24)12-16(20)21(25-22(27)28)26-10-6-3-7-11-26/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3
InChIKeyLQEUMPPZTPSZOM-UHFFFAOYSA-N
XLogP5.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one (CID 135165593) is 7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one is CC(C)c1ccccc1-n1c(=O)nc(N2CCCCC2)c2cc(Cl)c(Br)cc21.
What is the InChIKey of 7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is LQEUMPPZTPSZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrClN3O/c1-14(2)15-8-4-5-9-19(15)27-20-13-17(23)18(24)12-16(20)21(25-22(27)28)26-10-6-3-7-11-26/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3.
What are the key properties of 7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one?
7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 460.80 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 135165593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).