7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one

C26H19N5O2 — CID 665595

IUPAC7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccco2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21
InChIInChI=1S/C26H19N5O2/c32-22-14-17(23-11-6-12-33-23)13-21-19(22)15-27-25(29-21)31-26-28-20-10-5-4-9-18(20)24(30-26)16-7-2-1-3-8-16/h1-12,15,17H,13-14H2,(H,27,28,29,30,31)
InChIKeyVHTSMQCKERNTNU-UHFFFAOYSA-N
MW433.47 g/mol
LogP5.34
Rot. Bonds4

About 7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one

7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665595) has the molecular formula C26H19N5O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665595
Molecular FormulaC26H19N5O2
Molecular Weight433.47 g/mol
Exact Mass433.15
IUPAC Name7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccco2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21
InChIInChI=1S/C26H19N5O2/c32-22-14-17(23-11-6-12-33-23)13-21-19(22)15-27-25(29-21)31-26-28-20-10-5-4-9-18(20)24(30-26)16-7-2-1-3-8-16/h1-12,15,17H,13-14H2,(H,27,28,29,30,31)
InChIKeyVHTSMQCKERNTNU-UHFFFAOYSA-N
XLogP5.34
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (CID 665595) is 7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccco2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21.
What is the InChIKey of 7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is VHTSMQCKERNTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2/c32-22-14-17(23-11-6-12-33-23)13-21-19(22)15-27-25(29-21)31-26-28-20-10-5-4-9-18(20)24(30-26)16-7-2-1-3-8-16/h1-12,15,17H,13-14H2,(H,27,28,29,30,31).
What are the key properties of 7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 433.47 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).