4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid

C16H15N3O5 — CID 4890596

IUPAC4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NN1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C16H15N3O5/c20-13(7-8-14(21)22)18-19-15(12-6-3-9-24-12)17-11-5-2-1-4-10(11)16(19)23/h1-6,9,15,17H,7-8H2,(H,18,20)(H,21,22)
InChIKeyGKHIXWLNCDBXRW-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.74
Rot. Bonds5

About 4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid

4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid (PubChem CID 4890596) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid
PubChem CID4890596
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NN1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C16H15N3O5/c20-13(7-8-14(21)22)18-19-15(12-6-3-9-24-12)17-11-5-2-1-4-10(11)16(19)23/h1-6,9,15,17H,7-8H2,(H,18,20)(H,21,22)
InChIKeyGKHIXWLNCDBXRW-UHFFFAOYSA-N
XLogP1.74
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid (CID 4890596) is 4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid is O=C(O)CCC(=O)NN1C(=O)c2ccccc2NC1c1ccco1.
What is the InChIKey of 4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid?
The InChIKey is GKHIXWLNCDBXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c20-13(7-8-14(21)22)18-19-15(12-6-3-9-24-12)17-11-5-2-1-4-10(11)16(19)23/h1-6,9,15,17H,7-8H2,(H,18,20)(H,21,22).
What are the key properties of 4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid?
4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid has a molecular weight of 329.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 4890596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).