3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

C20H21N3O5 — CID 26835382

IUPAC3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCn2cnc3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C20H21N3O5/c1-26-16-10-13(11-17(27-2)19(16)28-3)22-18(24)8-9-23-12-21-15-7-5-4-6-14(15)20(23)25/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)
InChIKeyRHGBMZSXPKQEMX-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.45
Rot. Bonds7

About 3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 26835382) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID26835382
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCn2cnc3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C20H21N3O5/c1-26-16-10-13(11-17(27-2)19(16)28-3)22-18(24)8-9-23-12-21-15-7-5-4-6-14(15)20(23)25/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)
InChIKeyRHGBMZSXPKQEMX-UHFFFAOYSA-N
XLogP2.45
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5048859
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90575511
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 71795774
methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 39377823
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 26835382) is 3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCn2cnc3ccccc3c2=O)cc(OC)c1OC.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is RHGBMZSXPKQEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-26-16-10-13(11-17(27-2)19(16)28-3)22-18(24)8-9-23-12-21-15-7-5-4-6-14(15)20(23)25/h4-7,10-12H,8-9H2,1-3H3,(H,22,24).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 383.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 26835382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).