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

C19H16N2O3 — CID 3513853

IUPAC3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2O)N1Cc1ccco1
InChIInChI=1S/C19H16N2O3/c22-17-10-4-2-8-15(17)18-20-16-9-3-1-7-14(16)19(23)21(18)12-13-6-5-11-24-13/h1-11,18,20,22H,12H2
InChIKeyNFXIBJVSCBTWDW-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.75
Rot. Bonds3

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

3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 3513853) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID3513853
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2O)N1Cc1ccco1
InChIInChI=1S/C19H16N2O3/c22-17-10-4-2-8-15(17)18-20-16-9-3-1-7-14(16)19(23)21(18)12-13-6-5-11-24-13/h1-11,18,20,22H,12H2
InChIKeyNFXIBJVSCBTWDW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 292560
2-(2-furyl)-3-{[1-(2-hydroxyphenyl)ethylidene]amino}-2,3-dihydro-4(1H)-quinazolinone
CID 135433282
N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 661788
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
N-(2-furylmethyl)-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
CID 54683810
N-[4-[[5-[3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide
CID 50897809
3-[1-{2-[(2-cyclohex-1-en-1-ylethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-furylmethyl)propanamide
CID 3242228
N-(2-furylmethyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 2265927
N-(2-furylmethyl)-4-[(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
CID 4167318
N-[2-(2-furyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]acetamide
CID 4273158
4-[[2-(Furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid
CID 4890596
N-[2-[2-(4-hydroxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 8071870

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (CID 3513853) is 3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccc2O)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is NFXIBJVSCBTWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-17-10-4-2-8-15(17)18-20-16-9-3-1-7-14(16)19(23)21(18)12-13-6-5-11-24-13/h1-11,18,20,22H,12H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(furan-2-ylmethyl)-2-(2-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-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3513853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).