N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide

C19H20N4O — CID 3234256

IUPACN-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccccc2C)nc2ccccc12
InChIInChI=1S/C19H20N4O/c1-13-7-3-4-8-15(13)19-22-17-10-6-5-9-16(17)18(23-19)21-12-11-20-14(2)24/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyZWQBSEAYPMVKJR-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.15
Rot. Bonds5

About N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide

N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide (PubChem CID 3234256) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide
PubChem CID3234256
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccccc2C)nc2ccccc12
InChIInChI=1S/C19H20N4O/c1-13-7-3-4-8-15(13)19-22-17-10-6-5-9-16(17)18(23-19)21-12-11-20-14(2)24/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyZWQBSEAYPMVKJR-UHFFFAOYSA-N
XLogP3.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide (CID 3234256) is N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2ccccc2C)nc2ccccc12.
What is the InChIKey of N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide?
The InChIKey is ZWQBSEAYPMVKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-7-3-4-8-15(13)19-22-17-10-6-5-9-16(17)18(23-19)21-12-11-20-14(2)24/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide?
N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide has a molecular weight of 320.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 3234256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).