8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one

C16H15N3O2 — CID 39791171

IUPAC8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one
SMILESCOc1cccc2c(=O)n(Cc3ccnc(C)c3)cnc12
InChIInChI=1S/C16H15N3O2/c1-11-8-12(6-7-17-11)9-19-10-18-15-13(16(19)20)4-3-5-14(15)21-2/h3-8,10H,9H2,1-2H3
InChIKeyXTHYTMIYSAWCEP-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.16
Rot. Bonds3

About 8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one

8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one (PubChem CID 39791171) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one
PubChem CID39791171
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one
SMILESCOc1cccc2c(=O)n(Cc3ccnc(C)c3)cnc12
InChIInChI=1S/C16H15N3O2/c1-11-8-12(6-7-17-11)9-19-10-18-15-13(16(19)20)4-3-5-14(15)21-2/h3-8,10H,9H2,1-2H3
InChIKeyXTHYTMIYSAWCEP-UHFFFAOYSA-N
XLogP2.16
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one?
The IUPAC name of 8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one (CID 39791171) is 8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one.
What is the SMILES notation for 8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one?
The canonical SMILES for 8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one is COc1cccc2c(=O)n(Cc3ccnc(C)c3)cnc12.
What is the InChIKey of 8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one?
The InChIKey is XTHYTMIYSAWCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-8-12(6-7-17-11)9-19-10-18-15-13(16(19)20)4-3-5-14(15)21-2/h3-8,10H,9H2,1-2H3.
What are the key properties of 8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one?
8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one has a molecular weight of 281.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-one is sourced from PubChem (CID 39791171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).