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

C21H22FN3O4 — CID 30840588

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C21H22FN3O4/c1-4-24(11-14-5-8-18(28-2)19(9-14)29-3)20(26)12-25-13-23-17-7-6-15(22)10-16(17)21(25)27/h5-10,13H,4,11-12H2,1-3H3
InChIKeyRIYYRBYQEDKESB-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.60
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 30840588) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID30840588
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C21H22FN3O4/c1-4-24(11-14-5-8-18(28-2)19(9-14)29-3)20(26)12-25-13-23-17-7-6-15(22)10-16(17)21(25)27/h5-10,13H,4,11-12H2,1-3H3
InChIKeyRIYYRBYQEDKESB-UHFFFAOYSA-N
XLogP2.60
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 46584153
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55400060
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 55578791
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272719
3-[2-[(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 52515299
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 51215358
N-[(3,4-dimethoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
CID 8576731
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7488484
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55575810
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
CID 46484257
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 30888512
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46426367

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 30840588) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cnc2ccc(F)cc2c1=O.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is RIYYRBYQEDKESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-4-24(11-14-5-8-18(28-2)19(9-14)29-3)20(26)12-25-13-23-17-7-6-15(22)10-16(17)21(25)27/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 399.42 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 30840588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).