N-benzyl-N-quinazolin-6-ylacetamide

C17H15N3O — CID 68998384

IUPACN-benzyl-N-quinazolin-6-ylacetamide
SMILESCC(=O)N(Cc1ccccc1)c1ccc2ncncc2c1
InChIInChI=1S/C17H15N3O/c1-13(21)20(11-14-5-3-2-4-6-14)16-7-8-17-15(9-16)10-18-12-19-17/h2-10,12H,11H2,1H3
InChIKeyNIXDRHPCASSHCV-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.18
Rot. Bonds3

About N-benzyl-N-quinazolin-6-ylacetamide

N-benzyl-N-quinazolin-6-ylacetamide (PubChem CID 68998384) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-benzyl-N-quinazolin-6-ylacetamide.

Molecular Properties

Compound NameN-benzyl-N-quinazolin-6-ylacetamide
PubChem CID68998384
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-benzyl-N-quinazolin-6-ylacetamide
SMILESCC(=O)N(Cc1ccccc1)c1ccc2ncncc2c1
InChIInChI=1S/C17H15N3O/c1-13(21)20(11-14-5-3-2-4-6-14)16-7-8-17-15(9-16)10-18-12-19-17/h2-10,12H,11H2,1H3
InChIKeyNIXDRHPCASSHCV-UHFFFAOYSA-N
XLogP3.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-methyl-N-quinazolin-6-ylbenzamide
CID 69003997
acetic acid;quinazolin-6-ol
CID 68538754
N-benzylquinazoline-6-carboxamide
CID 141061658
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide
CID 68511183
N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide
CID 87179245
2-hydroxypropanoic acid;quinazoline
CID 157213189
N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen
CID 162429376
N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide
CID 70166673
1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea
CID 53440487
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-quinazolin-6-ylacetamide?
The IUPAC name of N-benzyl-N-quinazolin-6-ylacetamide (CID 68998384) is N-benzyl-N-quinazolin-6-ylacetamide.
What is the SMILES notation for N-benzyl-N-quinazolin-6-ylacetamide?
The canonical SMILES for N-benzyl-N-quinazolin-6-ylacetamide is CC(=O)N(Cc1ccccc1)c1ccc2ncncc2c1.
What is the InChIKey of N-benzyl-N-quinazolin-6-ylacetamide?
The InChIKey is NIXDRHPCASSHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-13(21)20(11-14-5-3-2-4-6-14)16-7-8-17-15(9-16)10-18-12-19-17/h2-10,12H,11H2,1H3.
What are the key properties of N-benzyl-N-quinazolin-6-ylacetamide?
N-benzyl-N-quinazolin-6-ylacetamide has a molecular weight of 277.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-quinazolin-6-ylacetamide is sourced from PubChem (CID 68998384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).