N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

C24H29N3O4 — CID 46653428

IUPACN-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCOc1ccc(C(C)NC(=O)Cn2cnc3ccccc3c2=O)cc1OCCC
InChIInChI=1S/C24H29N3O4/c1-4-12-30-21-11-10-18(14-22(21)31-13-5-2)17(3)26-23(28)15-27-16-25-20-9-7-6-8-19(20)24(27)29/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,26,28)
InChIKeyJKTPHXKZYQHTCR-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.85
Rot. Bonds10

About N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 46653428) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID46653428
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCOc1ccc(C(C)NC(=O)Cn2cnc3ccccc3c2=O)cc1OCCC
InChIInChI=1S/C24H29N3O4/c1-4-12-30-21-11-10-18(14-22(21)31-13-5-2)17(3)26-23(28)15-27-16-25-20-9-7-6-8-19(20)24(27)29/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,26,28)
InChIKeyJKTPHXKZYQHTCR-UHFFFAOYSA-N
XLogP3.85
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(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-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 51873542
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55502933
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
2-(4-oxoquinazolin-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46423728
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 47042855
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9109111
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9297441
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 43009851
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437008
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287316

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 46653428) is N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide is CCCOc1ccc(C(C)NC(=O)Cn2cnc3ccccc3c2=O)cc1OCCC.
What is the InChIKey of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JKTPHXKZYQHTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-12-30-21-11-10-18(14-22(21)31-13-5-2)17(3)26-23(28)15-27-16-25-20-9-7-6-8-19(20)24(27)29/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,26,28).
What are the key properties of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 423.51 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 46653428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).