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

C19H17N3O2 — CID 665400

IUPAC7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1
InChIInChI=1S/C19H17N3O2/c1-12-4-2-5-14(8-12)21-19-20-11-15-16(22-19)9-13(10-17(15)23)18-6-3-7-24-18/h2-8,11,13H,9-10H2,1H3,(H,20,21,22)
InChIKeyQJZZXTSOTHZWLG-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.03
Rot. Bonds3

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

7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665400) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665400
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1
InChIInChI=1S/C19H17N3O2/c1-12-4-2-5-14(8-12)21-19-20-11-15-16(22-19)9-13(10-17(15)23)18-6-3-7-24-18/h2-8,11,13H,9-10H2,1H3,(H,20,21,22)
InChIKeyQJZZXTSOTHZWLG-UHFFFAOYSA-N
XLogP4.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 665400) is 7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is Cc1cccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1.
What is the InChIKey of 7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QJZZXTSOTHZWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-4-2-5-14(8-12)21-19-20-11-15-16(22-19)9-13(10-17(15)23)18-6-3-7-24-18/h2-8,11,13H,9-10H2,1H3,(H,20,21,22).
What are the key properties of 7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 319.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).