2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one

C20H17N3O3 — CID 135433282

IUPAC2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
SMILESC/C(=N\N1C(=O)c2ccccc2NC1c1ccco1)c1ccccc1O
InChIInChI=1S/C20H17N3O3/c1-13(14-7-3-5-10-17(14)24)22-23-19(18-11-6-12-26-18)21-16-9-4-2-8-15(16)20(23)25/h2-12,19,21,24H,1H3/b22-13+
InChIKeyZPWJWOWWNGHPGK-LPYMAVHISA-N
MW347.37 g/mol
LogP3.98
Rot. Bonds3

About 2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one

2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one (PubChem CID 135433282) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
PubChem CID135433282
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
SMILESC/C(=N\N1C(=O)c2ccccc2NC1c1ccco1)c1ccccc1O
InChIInChI=1S/C20H17N3O3/c1-13(14-7-3-5-10-17(14)24)22-23-19(18-11-6-12-26-18)21-16-9-4-2-8-15(16)20(23)25/h2-12,19,21,24H,1H3/b22-13+
InChIKeyZPWJWOWWNGHPGK-LPYMAVHISA-N
XLogP3.98
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
N-[2-(2-furyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]acetamide
CID 4273158
3-(Furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 661528
3-{[1-(2-hydroxyphenyl)ethylidene]amino}-2-phenyl-2,3-dihydro-4(1H)-quinazolinone
CID 135455117
3-[(Furan-2-yl)methyl]-2-(3-hydroxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 5181292
3-(Furan-2-ylmethyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3513853
3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 4681590
4-(1-benzyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(2-furylmethyl)butanamide
CID 3237291
N-(2-furylmethyl)-4-[1-(2-methylbenzyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
CID 3237967
2-(furan-2-yl)-3-{[(E)-furan-2-ylmethylidene]amino}-2,3-dihydroquinazolin-4(1H)-one
CID 9567317
2-[3-(4-ethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]-N-[(furan-2-yl)methyl]acetamide
CID 16002593
Methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate
CID 122179890

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one (CID 135433282) is 2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one is C/C(=N\N1C(=O)c2ccccc2NC1c1ccco1)c1ccccc1O.
What is the InChIKey of 2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one?
The InChIKey is ZPWJWOWWNGHPGK-LPYMAVHISA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13(14-7-3-5-10-17(14)24)22-23-19(18-11-6-12-26-18)21-16-9-4-2-8-15(16)20(23)25/h2-12,19,21,24H,1H3/b22-13+.
What are the key properties of 2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one?
2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one has a molecular weight of 347.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 135433282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).