2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide

C21H18N4O — CID 17455628

IUPAC2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide
SMILESCN(CC(=O)Nc1cccc2ccccc12)c1ncnc2ccccc12
InChIInChI=1S/C21H18N4O/c1-25(21-17-10-4-5-11-18(17)22-14-23-21)13-20(26)24-19-12-6-8-15-7-2-3-9-16(15)19/h2-12,14H,13H2,1H3,(H,24,26)
InChIKeyDMIUHQWXYBNNJS-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.86
Rot. Bonds4

About 2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide

2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide (PubChem CID 17455628) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide
PubChem CID17455628
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide
SMILESCN(CC(=O)Nc1cccc2ccccc12)c1ncnc2ccccc12
InChIInChI=1S/C21H18N4O/c1-25(21-17-10-4-5-11-18(17)22-14-23-21)13-20(26)24-19-12-6-8-15-7-2-3-9-16(15)19/h2-12,14H,13H2,1H3,(H,24,26)
InChIKeyDMIUHQWXYBNNJS-UHFFFAOYSA-N
XLogP3.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide 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-(4-acetamidophenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437368
N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437347
N-(3-acetylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437365
N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437388
N-(4-ethylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437352
N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437356
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110436403
N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195854
2-[benzyl(methyl)amino]-N-naphthalen-1-ylacetamide
CID 8901088
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide (CID 17455628) is 2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide is CN(CC(=O)Nc1cccc2ccccc12)c1ncnc2ccccc12.
What is the InChIKey of 2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide?
The InChIKey is DMIUHQWXYBNNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-25(21-17-10-4-5-11-18(17)22-14-23-21)13-20(26)24-19-12-6-8-15-7-2-3-9-16(15)19/h2-12,14H,13H2,1H3,(H,24,26).
What are the key properties of 2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide?
2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide has a molecular weight of 342.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 17455628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).