2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one

C15H12N4O — CID 6899079

IUPAC2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccccn1
InChIInChI=1S/C15H12N4O/c1-11-18-14-8-3-2-7-13(14)15(20)19(11)17-10-12-6-4-5-9-16-12/h2-10H,1H3/b17-10+
InChIKeyYRTUCWBOATZCEM-LICLKQGHSA-N
MW264.29 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one

2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one (PubChem CID 6899079) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one
PubChem CID6899079
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccccn1
InChIInChI=1S/C15H12N4O/c1-11-18-14-8-3-2-7-13(14)15(20)19(11)17-10-12-6-4-5-9-16-12/h2-10H,1H3/b17-10+
InChIKeyYRTUCWBOATZCEM-LICLKQGHSA-N
XLogP1.98
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 5333835
CID 5333835
CID 5742213
CID 5742213
CID 63120
CID 63120
CID 3078467
CID 3078467
CID 63114
CID 63114
CID 5738263
CID 5738263
CID 135412668
CID 135412668
CID 135566762
CID 135566762
CID 135567116
CID 135567116
CID 5293677
CID 5293677
CID 5335659
CID 5335659
CID 5720743
CID 5720743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one (CID 6899079) is 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C/c1ccccn1.
What is the InChIKey of 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one?
The InChIKey is YRTUCWBOATZCEM-LICLKQGHSA-N. The full InChI is InChI=1S/C15H12N4O/c1-11-18-14-8-3-2-7-13(14)15(20)19(11)17-10-12-6-4-5-9-16-12/h2-10H,1H3/b17-10+.
What are the key properties of 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one?
2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one has a molecular weight of 264.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one is sourced from PubChem (CID 6899079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).