7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one

C14H17BrN2O2 — CID 106455785

IUPAC7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one
SMILESCC(C)COCCn1cnc2cc(Br)ccc2c1=O
InChIInChI=1S/C14H17BrN2O2/c1-10(2)8-19-6-5-17-9-16-13-7-11(15)3-4-12(13)14(17)18/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyZAQVYYPFTGIXEP-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.83
Rot. Bonds5

About 7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one

7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one (PubChem CID 106455785) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one
PubChem CID106455785
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one
SMILESCC(C)COCCn1cnc2cc(Br)ccc2c1=O
InChIInChI=1S/C14H17BrN2O2/c1-10(2)8-19-6-5-17-9-16-13-7-11(15)3-4-12(13)14(17)18/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyZAQVYYPFTGIXEP-UHFFFAOYSA-N
XLogP2.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-bromo-3-pent-4-enylquinazolin-4-one
CID 78992940
7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one
CID 78961139
7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663
7-bromo-3-(2-tert-butylsulfonylethyl)quinazolin-4-one
CID 103710587
2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 78961298
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505
7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one
CID 81435822
7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 78961293
3-[2-(4-bromophenoxy)ethyl]-7-nitroquinazolin-4-one
CID 3646772
5-bromo-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyridin-2-one
CID 106455787

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one?
The IUPAC name of 7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one (CID 106455785) is 7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one?
The canonical SMILES for 7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one is CC(C)COCCn1cnc2cc(Br)ccc2c1=O.
What is the InChIKey of 7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one?
The InChIKey is ZAQVYYPFTGIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10(2)8-19-6-5-17-9-16-13-7-11(15)3-4-12(13)14(17)18/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of 7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one?
7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one has a molecular weight of 325.21 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one is sourced from PubChem (CID 106455785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).