2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride

C18H19BrClN3O — CID 155191430

IUPAC2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride
SMILESCC(C)C(N)c1nc2cccc(Br)c2c(=O)n1-c1ccccc1.Cl
InChIInChI=1S/C18H18BrN3O.ClH/c1-11(2)16(20)17-21-14-10-6-9-13(19)15(14)18(23)22(17)12-7-4-3-5-8-12;/h3-11,16H,20H2,1-2H3;1H
InChIKeyUOGFJFQSMFEECI-UHFFFAOYSA-N
MW408.73 g/mol
LogP4.23
Rot. Bonds3

About 2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride

2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride (PubChem CID 155191430) has the molecular formula C18H19BrClN3O and a molecular weight of 408.73 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride
PubChem CID155191430
Molecular FormulaC18H19BrClN3O
Molecular Weight408.73 g/mol
Exact Mass407.04
IUPAC Name2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride
SMILESCC(C)C(N)c1nc2cccc(Br)c2c(=O)n1-c1ccccc1.Cl
InChIInChI=1S/C18H18BrN3O.ClH/c1-11(2)16(20)17-21-14-10-6-9-13(19)15(14)18(23)22(17)12-7-4-3-5-8-12;/h3-11,16H,20H2,1-2H3;1H
InChIKeyUOGFJFQSMFEECI-UHFFFAOYSA-N
XLogP4.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one
CID 90235944
2-[(1S)-1-aminoethyl]-5-(difluoromethyl)-3-phenylquinazolin-4-one
CID 90232930
5-bromo-3-phenyl-2-propylquinazolin-4-one
CID 142506267
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one
CID 144894826
1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90235066
2-[(1R)-1-aminobut-3-ynyl]-5-methyl-3-phenylquinazolin-4-one
CID 124560631
2-[(1S)-1-aminopropyl]-5-bromo-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118576029
2-(1-aminoethyl)-3-[3-(difluoromethyl)phenyl]-5-fluoroquinazolin-4-one
CID 90235829
1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90232864
2-[(1S)-1-aminoethyl]-5-chloro-3-[3-(difluoromethyl)phenyl]quinazolin-4-one
CID 90234520
5-chloro-2-[2-methyl-1-(7H-purin-6-ylamino)propyl]-3-phenylquinazolin-4-one;hydrochloride
CID 166667038

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride?
The IUPAC name of 2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride (CID 155191430) is 2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride is CC(C)C(N)c1nc2cccc(Br)c2c(=O)n1-c1ccccc1.Cl.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride?
The InChIKey is UOGFJFQSMFEECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O.ClH/c1-11(2)16(20)17-21-14-10-6-9-13(19)15(14)18(23)22(17)12-7-4-3-5-8-12;/h3-11,16H,20H2,1-2H3;1H.
What are the key properties of 2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride?
2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride has a molecular weight of 408.73 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride is sourced from PubChem (CID 155191430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).