2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one

C18H13BrN2O3 — CID 4137008

IUPAC2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(-c3ccc(Br)cc3)o2)N1O
InChIInChI=1S/C18H13BrN2O3/c19-12-7-5-11(6-8-12)15-9-10-16(24-15)17-20-14-4-2-1-3-13(14)18(22)21(17)23/h1-10,17,20,23H
InChIKeySJQDMMADURQZHI-UHFFFAOYSA-N
MW385.22 g/mol
LogP4.66
Rot. Bonds2

About 2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one

2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one (PubChem CID 4137008) has the molecular formula C18H13BrN2O3 and a molecular weight of 385.22 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one
PubChem CID4137008
Molecular FormulaC18H13BrN2O3
Molecular Weight385.22 g/mol
Exact Mass384.01
IUPAC Name2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(-c3ccc(Br)cc3)o2)N1O
InChIInChI=1S/C18H13BrN2O3/c19-12-7-5-11(6-8-12)15-9-10-16(24-15)17-20-14-4-2-1-3-13(14)18(22)21(17)23/h1-10,17,20,23H
InChIKeySJQDMMADURQZHI-UHFFFAOYSA-N
XLogP4.66
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one (CID 4137008) is 2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(-c3ccc(Br)cc3)o2)N1O.
What is the InChIKey of 2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one?
The InChIKey is SJQDMMADURQZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O3/c19-12-7-5-11(6-8-12)15-9-10-16(24-15)17-20-14-4-2-1-3-13(14)18(22)21(17)23/h1-10,17,20,23H.
What are the key properties of 2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one?
2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one has a molecular weight of 385.22 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)furan-2-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4137008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).