N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide

C20H21N3O3 — CID 9077881

IUPACN-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C20H21N3O3/c1-13-8-9-17(26-3)16(12-13)22-19(24)11-10-18-21-15-7-5-4-6-14(15)20(25)23(18)2/h4-9,12H,10-11H2,1-3H3,(H,22,24)
InChIKeyDXEVVMCNNBAPQZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.82
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide

N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide (PubChem CID 9077881) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
PubChem CID9077881
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C20H21N3O3/c1-13-8-9-17(26-3)16(12-13)22-19(24)11-10-18-21-15-7-5-4-6-14(15)20(25)23(18)2/h4-9,12H,10-11H2,1-3H3,(H,22,24)
InChIKeyDXEVVMCNNBAPQZ-UHFFFAOYSA-N
XLogP2.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide 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

[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424472
N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 8935859
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1383033
N-(2,5-dimethoxyphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 4984690
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
(2S)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 8727025
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51309889
N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23945130
(2S)-2-(2,3-dimethylphenoxy)-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]propanehydrazide
CID 9088849
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide (CID 9077881) is N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide is COc1ccc(C)cc1NC(=O)CCc1nc2ccccc2c(=O)n1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The InChIKey is DXEVVMCNNBAPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-8-9-17(26-3)16(12-13)22-19(24)11-10-18-21-15-7-5-4-6-14(15)20(25)23(18)2/h4-9,12H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide is sourced from PubChem (CID 9077881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).