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

C19H18N4O3 — CID 3233087

IUPACN-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C19H18N4O3/c1-12(24)20-8-9-21-19-14-4-2-3-5-15(14)22-18(23-19)13-6-7-16-17(10-13)26-11-25-16/h2-7,10H,8-9,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyOLYXDHAIZGVERN-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.57
Rot. Bonds5

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

N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide (PubChem CID 3233087) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide
PubChem CID3233087
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C19H18N4O3/c1-12(24)20-8-9-21-19-14-4-2-3-5-15(14)22-18(23-19)13-6-7-16-17(10-13)26-11-25-16/h2-7,10H,8-9,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyOLYXDHAIZGVERN-UHFFFAOYSA-N
XLogP2.57
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]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

Bunazosin
CID 2472
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
E-4021
CID 23665864
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
CP-31398
CID 9950868
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
Buquineran
CID 71953
1-Piperazinecarbothioamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061449
Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-oxo-3-phenyl-2-propenyl)-
CID 6447063
Bunazosin Hydrochloride
CID 115305

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide (CID 3233087) is N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2ccc3c(c2)OCO3)nc2ccccc12.
What is the InChIKey of N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide?
The InChIKey is OLYXDHAIZGVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12(24)20-8-9-21-19-14-4-2-3-5-15(14)22-18(23-19)13-6-7-16-17(10-13)26-11-25-16/h2-7,10H,8-9,11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide?
N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide has a molecular weight of 350.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 3233087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).