[5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate

C19H18N2O5 — CID 24740953

IUPAC[5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate
SMILESCOc1ccc(-n2cnc3ccc(OC)cc3c2=O)c(COC(C)=O)c1
InChIInChI=1S/C19H18N2O5/c1-12(22)26-10-13-8-14(24-2)5-7-18(13)21-11-20-17-6-4-15(25-3)9-16(17)19(21)23/h4-9,11H,10H2,1-3H3
InChIKeyKXXSOLZQKPQNAJ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.47
Rot. Bonds5

About [5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate

[5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate (PubChem CID 24740953) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate.

Molecular Properties

Compound Name[5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate
PubChem CID24740953
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate
SMILESCOc1ccc(-n2cnc3ccc(OC)cc3c2=O)c(COC(C)=O)c1
InChIInChI=1S/C19H18N2O5/c1-12(22)26-10-13-8-14(24-2)5-7-18(13)21-11-20-17-6-4-15(25-3)9-16(17)19(21)23/h4-9,11H,10H2,1-3H3
InChIKeyKXXSOLZQKPQNAJ-UHFFFAOYSA-N
XLogP2.47
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one
CID 24740952
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one
CID 127029117
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid
CID 24971000
(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 156870481
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
[6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate
CID 156870463
sodium (E)-3-(6-methoxy-4-oxoquinazolin-3-yl)prop-2-enoate
CID 70579248
1-[3-chloro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 20799150
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate?
The IUPAC name of [5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate (CID 24740953) is [5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate.
What is the SMILES notation for [5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate?
The canonical SMILES for [5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate is COc1ccc(-n2cnc3ccc(OC)cc3c2=O)c(COC(C)=O)c1.
What is the InChIKey of [5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate?
The InChIKey is KXXSOLZQKPQNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12(22)26-10-13-8-14(24-2)5-7-18(13)21-11-20-17-6-4-15(25-3)9-16(17)19(21)23/h4-9,11H,10H2,1-3H3.
What are the key properties of [5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate?
[5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate has a molecular weight of 354.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate is sourced from PubChem (CID 24740953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).