5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one

C20H14N4O2 — CID 711110

IUPAC5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one
SMILESO=c1c2ccccc2nc2c3ccccc3c(NCc3ccco3)nn12
InChIInChI=1S/C20H14N4O2/c25-20-16-9-3-4-10-17(16)22-19-15-8-2-1-7-14(15)18(23-24(19)20)21-12-13-6-5-11-26-13/h1-11H,12H2,(H,21,23)
InChIKeyVXGMIARAVYDOLC-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.60
Rot. Bonds3

About 5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one

5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one (PubChem CID 711110) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one
PubChem CID711110
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one
SMILESO=c1c2ccccc2nc2c3ccccc3c(NCc3ccco3)nn12
InChIInChI=1S/C20H14N4O2/c25-20-16-9-3-4-10-17(16)22-19-15-8-2-1-7-14(15)18(23-24(19)20)21-12-13-6-5-11-26-13/h1-11H,12H2,(H,21,23)
InChIKeyVXGMIARAVYDOLC-UHFFFAOYSA-N
XLogP3.60
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4(3H)-Quinazolinone, 3-furfuryl-2-methyl-
CID 64027
3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one
CID 5344841
2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
CID 683379
3-(Furan-2-ylmethyl)quinazolin-4-one
CID 332456
3-Benzyl-2-(2-furyl)-3,4-dihydro-4-quinazolinone
CID 563918
2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 147256078
2-(furan-2-yl)quinazolin-4(3H)-one
CID 135473199
N-Furan-2-ylmethyl-2-(4-oxo-2-piperidin-1-ylmethyl-4H-quinazolin-3-yl)-acetamide
CID 644713
3-(4-fluorophenyl)-2-{[(2-furylmethyl)amino]methyl}-4(3H)-quinazolinone
CID 849813
N-(furan-2-ylmethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 893670
3-butyl-2-(furan-2-yl)quinazolin-4(3H)-one
CID 1923623
3-(furan-2-ylmethyl)-10-methyl-2-(p-tolyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
CID 1954978

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one?
The IUPAC name of 5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one (CID 711110) is 5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one.
What is the SMILES notation for 5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one?
The canonical SMILES for 5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one is O=c1c2ccccc2nc2c3ccccc3c(NCc3ccco3)nn12.
What is the InChIKey of 5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one?
The InChIKey is VXGMIARAVYDOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-20-16-9-3-4-10-17(16)22-19-15-8-2-1-7-14(15)18(23-24(19)20)21-12-13-6-5-11-26-13/h1-11H,12H2,(H,21,23).
What are the key properties of 5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one?
5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one has a molecular weight of 342.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one is sourced from PubChem (CID 711110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).