5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one

C14H12N4O — CID 162685751

IUPAC5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one
SMILESCn1c(-c2cccnc2)nc2cccc(N)c2c1=O
InChIInChI=1S/C14H12N4O/c1-18-13(9-4-3-7-16-8-9)17-11-6-2-5-10(15)12(11)14(18)19/h2-8H,15H2,1H3
InChIKeyVDCVNKUXQGABGI-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.58
Rot. Bonds1

About 5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one

5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one (PubChem CID 162685751) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one
PubChem CID162685751
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one
SMILESCn1c(-c2cccnc2)nc2cccc(N)c2c1=O
InChIInChI=1S/C14H12N4O/c1-18-13(9-4-3-7-16-8-9)17-11-6-2-5-10(15)12(11)14(18)19/h2-8H,15H2,1H3
InChIKeyVDCVNKUXQGABGI-UHFFFAOYSA-N
XLogP1.58
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one?
The IUPAC name of 5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one (CID 162685751) is 5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one.
What is the SMILES notation for 5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one?
The canonical SMILES for 5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one is Cn1c(-c2cccnc2)nc2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one?
The InChIKey is VDCVNKUXQGABGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-18-13(9-4-3-7-16-8-9)17-11-6-2-5-10(15)12(11)14(18)19/h2-8H,15H2,1H3.
What are the key properties of 5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one?
5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one has a molecular weight of 252.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one is sourced from PubChem (CID 162685751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).