N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide

C13H15N3O3 — CID 144858973

IUPACN-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide
SMILESCOc1cc2nc(C)nc(NC(C)=O)c2cc1OC
InChIInChI=1S/C13H15N3O3/c1-7-14-10-6-12(19-4)11(18-3)5-9(10)13(15-7)16-8(2)17/h5-6H,1-4H3,(H,14,15,16,17)
InChIKeyMLGNKZSCNJSOTE-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.91
Rot. Bonds3

About N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide

N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide (PubChem CID 144858973) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide
PubChem CID144858973
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide
SMILESCOc1cc2nc(C)nc(NC(C)=O)c2cc1OC
InChIInChI=1S/C13H15N3O3/c1-7-14-10-6-12(19-4)11(18-3)5-9(10)13(15-7)16-8(2)17/h5-6H,1-4H3,(H,14,15,16,17)
InChIKeyMLGNKZSCNJSOTE-UHFFFAOYSA-N
XLogP1.91
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide?
The IUPAC name of N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide (CID 144858973) is N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide.
What is the SMILES notation for N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide?
The canonical SMILES for N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide is COc1cc2nc(C)nc(NC(C)=O)c2cc1OC.
What is the InChIKey of N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide?
The InChIKey is MLGNKZSCNJSOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-14-10-6-12(19-4)11(18-3)5-9(10)13(15-7)16-8(2)17/h5-6H,1-4H3,(H,14,15,16,17).
What are the key properties of N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide?
N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide has a molecular weight of 261.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide is sourced from PubChem (CID 144858973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).