N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

C16H21N3O2 — CID 45030782

IUPACN-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCCCNC(=O)Cn1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-3-5-10-17-15(20)11-19-14(4-2)18-13-9-7-6-8-12(13)16(19)21/h6-9H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyAPMRCIFSQAPESJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.88
Rot. Bonds6

About N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 45030782) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID45030782
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCCCNC(=O)Cn1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-3-5-10-17-15(20)11-19-14(4-2)18-13-9-7-6-8-12(13)16(19)21/h6-9H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyAPMRCIFSQAPESJ-UHFFFAOYSA-N
XLogP1.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-(2-ethyl-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

2-ethyl-3-pentylquinazolin-4-one
CID 529110
N-(4-acetylphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 859989
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030864
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 45030855
N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030780
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 51981540
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 45030818
N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033393
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (CID 45030782) is N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is CCCCNC(=O)Cn1c(CC)nc2ccccc2c1=O.
What is the InChIKey of N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is APMRCIFSQAPESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-5-10-17-15(20)11-19-14(4-2)18-13-9-7-6-8-12(13)16(19)21/h6-9H,3-5,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 45030782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).