methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate

C21H22N2O6 — CID 21224072

IUPACmethyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C21H22N2O6/c1-25-15-7-6-12(8-16(15)26-2)21-13-9-17(27-3)18(28-4)10-14(13)22-19(23-21)11-20(24)29-5/h6-10H,11H2,1-5H3
InChIKeyWAUAGVKRZTXUQU-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.05
Rot. Bonds7

About methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate

methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate (PubChem CID 21224072) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate
PubChem CID21224072
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Namemethyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C21H22N2O6/c1-25-15-7-6-12(8-16(15)26-2)21-13-9-17(27-3)18(28-4)10-14(13)22-19(23-21)11-20(24)29-5/h6-10H,11H2,1-5H3
InChIKeyWAUAGVKRZTXUQU-UHFFFAOYSA-N
XLogP3.05
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl]-N-phenylaniline
CID 67716628
[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride
CID 10722756
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline
CID 10669803
4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid
CID 22097630
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinolin-3-yl]pentan-1-one
CID 19039881
acetic acid;2-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-phenylethanone
CID 123882053
[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol
CID 22097659
methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate
CID 82578176
4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 22626608
methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate
CID 164853359
1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea
CID 22663120

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate (CID 21224072) is methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate is COC(=O)Cc1nc(-c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate?
The InChIKey is WAUAGVKRZTXUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-25-15-7-6-12(8-16(15)26-2)21-13-9-17(27-3)18(28-4)10-14(13)22-19(23-21)11-20(24)29-5/h6-10H,11H2,1-5H3.
What are the key properties of methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate?
methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate has a molecular weight of 398.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate is sourced from PubChem (CID 21224072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).