methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate

C18H16N2O5 — CID 11602536

IUPACmethyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate
SMILESCOC(=O)c1cc(OC)cc2ncn(-c3ccc(OC)cc3)c(=O)c12
InChIInChI=1S/C18H16N2O5/c1-23-12-6-4-11(5-7-12)20-10-19-15-9-13(24-2)8-14(18(22)25-3)16(15)17(20)21/h4-10H,1-3H3
InChIKeyMILFHMVUSVMKLH-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.19
Rot. Bonds4

About methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate

methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate (PubChem CID 11602536) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate
PubChem CID11602536
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Namemethyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate
SMILESCOC(=O)c1cc(OC)cc2ncn(-c3ccc(OC)cc3)c(=O)c12
InChIInChI=1S/C18H16N2O5/c1-23-12-6-4-11(5-7-12)20-10-19-15-9-13(24-2)8-14(18(22)25-3)16(15)17(20)21/h4-10H,1-3H3
InChIKeyMILFHMVUSVMKLH-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

5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one
CID 10379126
5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 11510099
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one
CID 59116477
methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate
CID 21020314
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 39314202
methyl 2-cyclopropyl-1-(4-methoxyphenyl)benzimidazole-5-carboxylate;methyl 1-(4-methoxyphenyl)benzimidazole-5-carboxylate
CID 166667370
methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate
CID 7749347
5-bromo-6-cyclopropyl-3-(4-methoxyphenyl)pyrimidin-4-one
CID 165478529
methyl 11-(4-methoxyphenyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66505200
N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24641669

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate?
The IUPAC name of methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate (CID 11602536) is methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate.
What is the SMILES notation for methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate?
The canonical SMILES for methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate is COC(=O)c1cc(OC)cc2ncn(-c3ccc(OC)cc3)c(=O)c12.
What is the InChIKey of methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate?
The InChIKey is MILFHMVUSVMKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-23-12-6-4-11(5-7-12)20-10-19-15-9-13(24-2)8-14(18(22)25-3)16(15)17(20)21/h4-10H,1-3H3.
What are the key properties of methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate?
methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate 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 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate is sourced from PubChem (CID 11602536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).