methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate

C18H16N2O5 — CID 7749347

IUPACmethyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate
SMILESCOC(=O)c1cccc(-n2cnc3cc(OC)c(OC)cc3c2=O)c1
InChIInChI=1S/C18H16N2O5/c1-23-15-8-13-14(9-16(15)24-2)19-10-20(17(13)21)12-6-4-5-11(7-12)18(22)25-3/h4-10H,1-3H3
InChIKeyUVPCMZKXBDRRTH-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.19
Rot. Bonds4

About methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate

methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate (PubChem CID 7749347) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate
PubChem CID7749347
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Namemethyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate
SMILESCOC(=O)c1cccc(-n2cnc3cc(OC)c(OC)cc3c2=O)c1
InChIInChI=1S/C18H16N2O5/c1-23-15-8-13-14(9-16(15)24-2)19-10-20(17(13)21)12-6-4-5-11(7-12)18(22)25-3/h4-10H,1-3H3
InChIKeyUVPCMZKXBDRRTH-UHFFFAOYSA-N
XLogP2.19
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
methyl 3-(4,5-dimethylimidazol-1-yl)benzoate
CID 71378704
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one
CID 7749326
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
3-(4-oxoquinazolin-3-yl)benzoic acid
CID 7749421
3-(6-amino-4-oxoquinazolin-3-yl)benzoic acid
CID 16641551
methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 39377823
methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-fluorobenzoate
CID 46519363
methyl 3-(2-bromoimidazol-1-yl)benzoate
CID 172993276
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate?
The IUPAC name of methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate (CID 7749347) is methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate.
What is the SMILES notation for methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate?
The canonical SMILES for methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate is COC(=O)c1cccc(-n2cnc3cc(OC)c(OC)cc3c2=O)c1.
What is the InChIKey of methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate?
The InChIKey is UVPCMZKXBDRRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-23-15-8-13-14(9-16(15)24-2)19-10-20(17(13)21)12-6-4-5-11(7-12)18(22)25-3/h4-10H,1-3H3.
What are the key properties of methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate?
methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate has a molecular weight of 340.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate is sourced from PubChem (CID 7749347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).