2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one

C19H18N2O3 — CID 2893509

IUPAC2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccccc2O)n1CCCO
InChIInChI=1S/C19H18N2O3/c22-13-5-12-21-18(11-10-14-6-1-4-9-17(14)23)20-16-8-3-2-7-15(16)19(21)24/h1-4,6-11,22-23H,5,12-13H2
InChIKeyBIFUFLRORSZRBD-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.65
Rot. Bonds5

About 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one

2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one (PubChem CID 2893509) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
PubChem CID2893509
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccccc2O)n1CCCO
InChIInChI=1S/C19H18N2O3/c22-13-5-12-21-18(11-10-14-6-1-4-9-17(14)23)20-16-8-3-2-7-15(16)19(21)24/h1-4,6-11,22-23H,5,12-13H2
InChIKeyBIFUFLRORSZRBD-UHFFFAOYSA-N
XLogP2.65
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
2-[(E)-2-(1-benzyl-2-methylindol-3-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 23606618
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-[4-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-4-oxoquinazolin-3-yl]butyl]quinazolin-4-one
CID 138858437
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
CID 2966521
3-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 3140396
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
CID 135544846
2-benzylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 4825111
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-butylquinazolin-4-one
CID 118734930
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 7334822

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one?
The IUPAC name of 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one (CID 2893509) is 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one is O=c1c2ccccc2nc(C=Cc2ccccc2O)n1CCCO.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one?
The InChIKey is BIFUFLRORSZRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-13-5-12-21-18(11-10-14-6-1-4-9-17(14)23)20-16-8-3-2-7-15(16)19(21)24/h1-4,6-11,22-23H,5,12-13H2.
What are the key properties of 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one?
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one has a molecular weight of 322.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one is sourced from PubChem (CID 2893509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).