methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate

C13H14N2O3 — CID 143096714

IUPACmethyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate
SMILESCOC(=O)c1cc2nc(C)nc(C)c2cc1OC
InChIInChI=1S/C13H14N2O3/c1-7-9-6-12(17-3)10(13(16)18-4)5-11(9)15-8(2)14-7/h5-6H,1-4H3
InChIKeyABHPEPAOIBAJMD-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.04
Rot. Bonds2

About methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate

methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate (PubChem CID 143096714) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate
PubChem CID143096714
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate
SMILESCOC(=O)c1cc2nc(C)nc(C)c2cc1OC
InChIInChI=1S/C13H14N2O3/c1-7-9-6-12(17-3)10(13(16)18-4)5-11(9)15-8(2)14-7/h5-6H,1-4H3
InChIKeyABHPEPAOIBAJMD-UHFFFAOYSA-N
XLogP2.04
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate?
The IUPAC name of methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate (CID 143096714) is methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate.
What is the SMILES notation for methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate?
The canonical SMILES for methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate is COC(=O)c1cc2nc(C)nc(C)c2cc1OC.
What is the InChIKey of methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate?
The InChIKey is ABHPEPAOIBAJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7-9-6-12(17-3)10(13(16)18-4)5-11(9)15-8(2)14-7/h5-6H,1-4H3.
What are the key properties of methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate?
methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate is sourced from PubChem (CID 143096714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).