N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide

C19H18N4O3 — CID 110436403

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc2c(c1)OCO2)c1ncnc2ccccc12
InChIInChI=1S/C19H18N4O3/c1-23(19-14-4-2-3-5-15(14)21-11-22-19)10-18(24)20-9-13-6-7-16-17(8-13)26-12-25-16/h2-8,11H,9-10,12H2,1H3,(H,20,24)
InChIKeyUWHXOZFFSFNMHP-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.11
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide (PubChem CID 110436403) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
PubChem CID110436403
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc2c(c1)OCO2)c1ncnc2ccccc12
InChIInChI=1S/C19H18N4O3/c1-23(19-14-4-2-3-5-15(14)21-11-22-19)10-18(24)20-9-13-6-7-16-17(8-13)26-12-25-16/h2-8,11H,9-10,12H2,1H3,(H,20,24)
InChIKeyUWHXOZFFSFNMHP-UHFFFAOYSA-N
XLogP2.11
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(quinazolin-4-ylamino)propanamide
CID 110436193
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
N-(1,3-benzodioxol-5-ylmethyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide
CID 9036097
2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161193
2-[acetyl(1-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161974
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964172
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 9261592
N-(1,3-benzodioxol-5-ylmethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2973295
N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide
CID 110851796
N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437347
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113162169
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26425733

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide (CID 110436403) is N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide is CN(CC(=O)NCc1ccc2c(c1)OCO2)c1ncnc2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The InChIKey is UWHXOZFFSFNMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-23(19-14-4-2-3-5-15(14)21-11-22-19)10-18(24)20-9-13-6-7-16-17(8-13)26-12-25-16/h2-8,11H,9-10,12H2,1H3,(H,20,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide has a molecular weight of 350.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide is sourced from PubChem (CID 110436403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).