3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione

C15H14N4O3 — CID 3888838

IUPAC3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione
SMILESCN(C)c1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)o1
InChIInChI=1S/C15H14N4O3/c1-18(2)13-8-7-10(22-13)9-16-19-14(20)11-5-3-4-6-12(11)17-15(19)21/h3-9H,1-2H3,(H,17,21)
InChIKeyKGZXTOUEONHSCP-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.23
Rot. Bonds3

About 3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione

3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 3888838) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID3888838
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione
SMILESCN(C)c1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)o1
InChIInChI=1S/C15H14N4O3/c1-18(2)13-8-7-10(22-13)9-16-19-14(20)11-5-3-4-6-12(11)17-15(19)21/h3-9H,1-2H3,(H,17,21)
InChIKeyKGZXTOUEONHSCP-UHFFFAOYSA-N
XLogP1.23
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione (CID 3888838) is 3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione is CN(C)c1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)o1.
What is the InChIKey of 3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is KGZXTOUEONHSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-18(2)13-8-7-10(22-13)9-16-19-14(20)11-5-3-4-6-12(11)17-15(19)21/h3-9H,1-2H3,(H,17,21).
What are the key properties of 3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione?
3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 298.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 3888838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).