N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide

C20H16N4OS — CID 4786429

IUPACN-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C20H16N4OS/c1-13(25)21-14-6-4-7-15(12-14)22-19-16-8-2-3-9-17(16)23-20(24-19)18-10-5-11-26-18/h2-12H,1H3,(H,21,25)(H,22,23,24)
InChIKeyCMIZQGPTGPSAMK-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.06
Rot. Bonds4

About N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide

N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide (PubChem CID 4786429) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide
PubChem CID4786429
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C20H16N4OS/c1-13(25)21-14-6-4-7-15(12-14)22-19-16-8-2-3-9-17(16)23-20(24-19)18-10-5-11-26-18/h2-12H,1H3,(H,21,25)(H,22,23,24)
InChIKeyCMIZQGPTGPSAMK-UHFFFAOYSA-N
XLogP5.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide (CID 4786429) is N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1.
What is the InChIKey of N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide?
The InChIKey is CMIZQGPTGPSAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-13(25)21-14-6-4-7-15(12-14)22-19-16-8-2-3-9-17(16)23-20(24-19)18-10-5-11-26-18/h2-12H,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide?
N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 4786429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).