N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

C21H23N3O5 — CID 4793715

IUPACN-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)COc2ncnc3ccccc23)c(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-24(11-14-9-10-17(26-2)20(28-4)19(14)27-3)18(25)12-29-21-15-7-5-6-8-16(15)22-13-23-21/h5-10,13H,11-12H2,1-4H3
InChIKeyYCXYAXKUYJKBTQ-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.69
Rot. Bonds8

About N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 4793715) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID4793715
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)COc2ncnc3ccccc23)c(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-24(11-14-9-10-17(26-2)20(28-4)19(14)27-3)18(25)12-29-21-15-7-5-6-8-16(15)22-13-23-21/h5-10,13H,11-12H2,1-4H3
InChIKeyYCXYAXKUYJKBTQ-UHFFFAOYSA-N
XLogP2.69
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-naphthalen-2-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 26555249
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide
CID 51174011
2-ethoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113269
2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91777997
N,2-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113258
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 4791855
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
2-(2-cyanophenoxy)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7718911
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870983
4-ethoxyquinazoline
CID 589708
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 4793715) is N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(CN(C)C(=O)COc2ncnc3ccccc23)c(OC)c1OC.
What is the InChIKey of N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is YCXYAXKUYJKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-24(11-14-9-10-17(26-2)20(28-4)19(14)27-3)18(25)12-29-21-15-7-5-6-8-16(15)22-13-23-21/h5-10,13H,11-12H2,1-4H3.
What are the key properties of N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4793715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).