6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one

C17H15BrN2O3 — CID 17463770

IUPAC6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1CC(O)COc1ccccc1
InChIInChI=1S/C17H15BrN2O3/c18-12-6-7-16-15(8-12)17(22)20(11-19-16)9-13(21)10-23-14-4-2-1-3-5-14/h1-8,11,13,21H,9-10H2
InChIKeyLIDKRMDSYCPVGC-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.60
Rot. Bonds5

About 6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one

6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one (PubChem CID 17463770) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one
PubChem CID17463770
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1CC(O)COc1ccccc1
InChIInChI=1S/C17H15BrN2O3/c18-12-6-7-16-15(8-12)17(22)20(11-19-16)9-13(21)10-23-14-4-2-1-3-5-14/h1-8,11,13,21H,9-10H2
InChIKeyLIDKRMDSYCPVGC-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3-[2-hydroxy-3-(4-phenylphenoxy)propyl]quinazolin-4-one
CID 24562567
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzoate
CID 24562574
3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 41176342
methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate
CID 146973825
6-bromo-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]quinazolin-4-one
CID 38834090
3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-6-methylquinazolin-4-one
CID 51119555
2-[(6-bromo-4-oxoquinazolin-3-yl)methyl]butanoic acid
CID 155622567
6-bromo-3-[2-(4-fluorophenyl)-2-hydroxyethyl]quinazolin-4-one
CID 51338339
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
CID 52916664
6-bromo-3-[(2-phenoxyphenyl)methyl]quinazolin-4-one
CID 7488417
7-fluoro-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 17465079
methyl 2-bromo-3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
CID 113219612

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one?
The IUPAC name of 6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one (CID 17463770) is 6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one?
The canonical SMILES for 6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one is O=c1c2cc(Br)ccc2ncn1CC(O)COc1ccccc1.
What is the InChIKey of 6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one?
The InChIKey is LIDKRMDSYCPVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c18-12-6-7-16-15(8-12)17(22)20(11-19-16)9-13(21)10-23-14-4-2-1-3-5-14/h1-8,11,13,21H,9-10H2.
What are the key properties of 6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one?
6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one has a molecular weight of 375.22 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one is sourced from PubChem (CID 17463770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).