3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

C19H16N2O3 — CID 5181292

IUPAC3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccc(O)c2)N1Cc1ccco1
InChIInChI=1S/C19H16N2O3/c22-14-6-3-5-13(11-14)18-20-17-9-2-1-8-16(17)19(23)21(18)12-15-7-4-10-24-15/h1-11,18,20,22H,12H2
InChIKeyFTNSHURODFYFHH-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.75
Rot. Bonds3

About 3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 5181292) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID5181292
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccc(O)c2)N1Cc1ccco1
InChIInChI=1S/C19H16N2O3/c22-14-6-3-5-13(11-14)18-20-17-9-2-1-8-16(17)19(23)21(18)12-15-7-4-10-24-15/h1-11,18,20,22H,12H2
InChIKeyFTNSHURODFYFHH-UHFFFAOYSA-N
XLogP3.75
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (CID 5181292) is 3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cccc(O)c2)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is FTNSHURODFYFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-14-6-3-5-13(11-14)18-20-17-9-2-1-8-16(17)19(23)21(18)12-15-7-4-10-24-15/h1-11,18,20,22H,12H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 320.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 5181292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).