2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

C20H19N3O2 — CID 665837

IUPAC2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cc(C)cc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1
InChIInChI=1S/C20H19N3O2/c1-12-6-13(2)8-15(7-12)22-20-21-11-16-17(23-20)9-14(10-18(16)24)19-4-3-5-25-19/h3-8,11,14H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyGVDFDKDEHCKXDH-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.34
Rot. Bonds3

About 2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665837) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665837
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cc(C)cc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1
InChIInChI=1S/C20H19N3O2/c1-12-6-13(2)8-15(7-12)22-20-21-11-16-17(23-20)9-14(10-18(16)24)19-4-3-5-25-19/h3-8,11,14H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyGVDFDKDEHCKXDH-UHFFFAOYSA-N
XLogP4.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 665837) is 2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is Cc1cc(C)cc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is GVDFDKDEHCKXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-6-13(2)8-15(7-12)22-20-21-11-16-17(23-20)9-14(10-18(16)24)19-4-3-5-25-19/h3-8,11,14H,9-10H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 333.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).