3-amino-2-anilinoquinazolin-4-one

C14H12N4O — CID 746295

IUPAC3-amino-2-anilinoquinazolin-4-one
SMILESNn1c(Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C14H12N4O/c15-18-13(19)11-8-4-5-9-12(11)17-14(18)16-10-6-2-1-3-7-10/h1-9H,15H2,(H,16,17)
InChIKeyCBEYPOADIBVSFQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.85
Rot. Bonds2

About 3-amino-2-anilinoquinazolin-4-one

3-amino-2-anilinoquinazolin-4-one (PubChem CID 746295) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-2-anilinoquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-anilinoquinazolin-4-one
PubChem CID746295
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-amino-2-anilinoquinazolin-4-one
SMILESNn1c(Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C14H12N4O/c15-18-13(19)11-8-4-5-9-12(11)17-14(18)16-10-6-2-1-3-7-10/h1-9H,15H2,(H,16,17)
InChIKeyCBEYPOADIBVSFQ-UHFFFAOYSA-N
XLogP1.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-anilinoquinazolin-4-one?
The IUPAC name of 3-amino-2-anilinoquinazolin-4-one (CID 746295) is 3-amino-2-anilinoquinazolin-4-one.
What is the SMILES notation for 3-amino-2-anilinoquinazolin-4-one?
The canonical SMILES for 3-amino-2-anilinoquinazolin-4-one is Nn1c(Nc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-anilinoquinazolin-4-one?
The InChIKey is CBEYPOADIBVSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-18-13(19)11-8-4-5-9-12(11)17-14(18)16-10-6-2-1-3-7-10/h1-9H,15H2,(H,16,17).
What are the key properties of 3-amino-2-anilinoquinazolin-4-one?
3-amino-2-anilinoquinazolin-4-one has a molecular weight of 252.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-anilinoquinazolin-4-one is sourced from PubChem (CID 746295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).