methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate

C20H20N2O7 — CID 1076254

IUPACmethyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1-n1cnc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C20H20N2O7/c1-25-15-6-11-13(8-17(15)27-3)21-10-22(19(11)23)14-9-18(28-4)16(26-2)7-12(14)20(24)29-5/h6-10H,1-5H3
InChIKeyPFKKMUZFGISJDT-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.21
Rot. Bonds6

About methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate

methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate (PubChem CID 1076254) has the molecular formula C20H20N2O7 and a molecular weight of 400.39 g/mol. Its IUPAC name is methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate
PubChem CID1076254
Molecular FormulaC20H20N2O7
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Namemethyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1-n1cnc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C20H20N2O7/c1-25-15-6-11-13(8-17(15)27-3)21-10-22(19(11)23)14-9-18(28-4)16(26-2)7-12(14)20(24)29-5/h6-10H,1-5H3
InChIKeyPFKKMUZFGISJDT-UHFFFAOYSA-N
XLogP2.21
TPSA98.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate (CID 1076254) is methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1-n1cnc2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate?
The InChIKey is PFKKMUZFGISJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O7/c1-25-15-6-11-13(8-17(15)27-3)21-10-22(19(11)23)14-9-18(28-4)16(26-2)7-12(14)20(24)29-5/h6-10H,1-5H3.
What are the key properties of methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate?
methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate has a molecular weight of 400.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4,5-dimethoxybenzoate is sourced from PubChem (CID 1076254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).