6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one

C18H20N4O3 — CID 135421252

IUPAC6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one
SMILESCOc1cc2nc(N(C)Cc3cccc(C)n3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C18H20N4O3/c1-11-6-5-7-12(19-11)10-22(2)18-20-14-9-16(25-4)15(24-3)8-13(14)17(23)21-18/h5-9H,10H2,1-4H3,(H,20,21,23)
InChIKeyIBOXJZCBEUAMTM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.28
Rot. Bonds5

About 6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one

6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one (PubChem CID 135421252) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one
PubChem CID135421252
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one
SMILESCOc1cc2nc(N(C)Cc3cccc(C)n3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C18H20N4O3/c1-11-6-5-7-12(19-11)10-22(2)18-20-14-9-16(25-4)15(24-3)8-13(14)17(23)21-18/h5-9H,10H2,1-4H3,(H,20,21,23)
InChIKeyIBOXJZCBEUAMTM-UHFFFAOYSA-N
XLogP2.28
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one (CID 135421252) is 6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one is COc1cc2nc(N(C)Cc3cccc(C)n3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one?
The InChIKey is IBOXJZCBEUAMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-6-5-7-12(19-11)10-22(2)18-20-14-9-16(25-4)15(24-3)8-13(14)17(23)21-18/h5-9H,10H2,1-4H3,(H,20,21,23).
What are the key properties of 6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one?
6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one has a molecular weight of 340.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one is sourced from PubChem (CID 135421252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).