N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide

C19H17N5O — CID 56942640

IUPACN-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCNc2ncnc3ccc(C#N)cc23)c1
InChIInChI=1S/C19H17N5O/c1-13(25)24-16-4-2-3-14(9-16)7-8-21-19-17-10-15(11-20)5-6-18(17)22-12-23-19/h2-6,9-10,12H,7-8H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyODULEZFVCUTDJA-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.11
Rot. Bonds5

About N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide

N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide (PubChem CID 56942640) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
PubChem CID56942640
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCNc2ncnc3ccc(C#N)cc23)c1
InChIInChI=1S/C19H17N5O/c1-13(25)24-16-4-2-3-14(9-16)7-8-21-19-17-10-15(11-20)5-6-18(17)22-12-23-19/h2-6,9-10,12H,7-8H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyODULEZFVCUTDJA-UHFFFAOYSA-N
XLogP3.11
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide (CID 56942640) is N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(CCNc2ncnc3ccc(C#N)cc23)c1.
What is the InChIKey of N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is ODULEZFVCUTDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13(25)24-16-4-2-3-14(9-16)7-8-21-19-17-10-15(11-20)5-6-18(17)22-12-23-19/h2-6,9-10,12H,7-8H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 56942640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).