2-anilino-7,8-dihydro-6H-quinazolin-5-one

C14H13N3O — CID 53003253

IUPAC2-anilino-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Nc3ccccc3)ncc21
InChIInChI=1S/C14H13N3O/c18-13-8-4-7-12-11(13)9-15-14(17-12)16-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,15,16,17)
InChIKeyGPVKSROWFGDUKP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.74
Rot. Bonds2

About 2-anilino-7,8-dihydro-6H-quinazolin-5-one

2-anilino-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 53003253) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-anilino-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-anilino-7,8-dihydro-6H-quinazolin-5-one
PubChem CID53003253
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-anilino-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Nc3ccccc3)ncc21
InChIInChI=1S/C14H13N3O/c18-13-8-4-7-12-11(13)9-15-14(17-12)16-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,15,16,17)
InChIKeyGPVKSROWFGDUKP-UHFFFAOYSA-N
XLogP2.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-anilino-7,8-dihydro-6H-quinazolin-5-one (CID 53003253) is 2-anilino-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-anilino-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-anilino-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(Nc3ccccc3)ncc21.
What is the InChIKey of 2-anilino-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is GPVKSROWFGDUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-13-8-4-7-12-11(13)9-15-14(17-12)16-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,15,16,17).
What are the key properties of 2-anilino-7,8-dihydro-6H-quinazolin-5-one?
2-anilino-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 239.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 53003253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).