N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide

C21H23N3O5 — CID 53339983

IUPACN-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide
SMILESCOc1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)cnc2cc1NC(C)=O
InChIInChI=1S/C21H23N3O5/c1-13(25)23-17-11-16-15(10-19(17)28-3)21(26)24(12-22-16)8-7-14-5-6-18(27-2)20(9-14)29-4/h5-6,9-12H,7-8H2,1-4H3,(H,23,25)
InChIKeyNICZMLOBOKTVEV-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.62
Rot. Bonds7

About N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide

N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide (PubChem CID 53339983) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide
PubChem CID53339983
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide
SMILESCOc1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)cnc2cc1NC(C)=O
InChIInChI=1S/C21H23N3O5/c1-13(25)23-17-11-16-15(10-19(17)28-3)21(26)24(12-22-16)8-7-14-5-6-18(27-2)20(9-14)29-4/h5-6,9-12H,7-8H2,1-4H3,(H,23,25)
InChIKeyNICZMLOBOKTVEV-UHFFFAOYSA-N
XLogP2.62
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide with MolForge

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Related Compounds

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 46685244
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate
CID 7749360
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39378134
4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39377637
methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 39377823
N-[2-(4-tert-butylphenyl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46442118
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 118722441
methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-fluorobenzoate
CID 46519363
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7488484
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 45493274

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide?
The IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide (CID 53339983) is N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide.
What is the SMILES notation for N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide?
The canonical SMILES for N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide is COc1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)cnc2cc1NC(C)=O.
What is the InChIKey of N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide?
The InChIKey is NICZMLOBOKTVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-13(25)23-17-11-16-15(10-19(17)28-3)21(26)24(12-22-16)8-7-14-5-6-18(27-2)20(9-14)29-4/h5-6,9-12H,7-8H2,1-4H3,(H,23,25).
What are the key properties of N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide?
N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide is sourced from PubChem (CID 53339983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).