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

C18H15N2O5- — CID 7749360

IUPAC4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate
SMILESCOc1cc2ncn(Cc3ccc(C(=O)[O-])cc3)c(=O)c2cc1OC
InChIInChI=1S/C18H16N2O5/c1-24-15-7-13-14(8-16(15)25-2)19-10-20(17(13)21)9-11-3-5-12(6-4-11)18(22)23/h3-8,10H,9H2,1-2H3,(H,22,23)/p-1
InChIKeyLHNFUSGDXUHCRY-UHFFFAOYSA-M
MW339.33 g/mol
LogP0.83
Rot. Bonds5

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

4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate (PubChem CID 7749360) has the molecular formula C18H15N2O5- and a molecular weight of 339.33 g/mol. Its IUPAC name is 4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate.

Molecular Properties

Compound Name4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate
PubChem CID7749360
Molecular FormulaC18H15N2O5-
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate
SMILESCOc1cc2ncn(Cc3ccc(C(=O)[O-])cc3)c(=O)c2cc1OC
InChIInChI=1S/C18H16N2O5/c1-24-15-7-13-14(8-16(15)25-2)19-10-20(17(13)21)9-11-3-5-12(6-4-11)18(22)23/h3-8,10H,9H2,1-2H3,(H,22,23)/p-1
InChIKeyLHNFUSGDXUHCRY-UHFFFAOYSA-M
XLogP0.83
TPSA93.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 118722441
4-[(5,6-dimethoxybenzimidazol-1-yl)methyl]benzoic acid
CID 94723431
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide
CID 53339983
[3-benzyl-7-(2-methoxyethoxy)-4-oxoquinazolin-6-yl] acetate
CID 58896728
2-hydroxyethyl(trimethyl)azanium;4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-4-oxopyrido[3,4-d]pyrimidin-3-yl]methyl]benzoate
CID 11642444
1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea
CID 58294900
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 55455013
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one
CID 39035249
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 46685244
3-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-oxobutyl]-6,7-dimethoxyquinazolin-4-one
CID 55587076
4-[[6-[2-(4-methoxyphenyl)acetyl]oxy-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 11988626

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate?
The IUPAC name of 4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate (CID 7749360) is 4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate.
What is the SMILES notation for 4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate?
The canonical SMILES for 4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate is COc1cc2ncn(Cc3ccc(C(=O)[O-])cc3)c(=O)c2cc1OC.
What is the InChIKey of 4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate?
The InChIKey is LHNFUSGDXUHCRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N2O5/c1-24-15-7-13-14(8-16(15)25-2)19-10-20(17(13)21)9-11-3-5-12(6-4-11)18(22)23/h3-8,10H,9H2,1-2H3,(H,22,23)/p-1.
What are the key properties of 4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate?
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate has a molecular weight of 339.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate is sourced from PubChem (CID 7749360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).