1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone

C22H25N5O — CID 60502729

IUPAC1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNc2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C22H25N5O/c1-17(28)27-15-13-26(14-16-27)12-11-23-22-19-9-5-6-10-20(19)24-21(25-22)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,23,24,25)
InChIKeyKCNYFGJEECWMFW-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.87
Rot. Bonds5

About 1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone (PubChem CID 60502729) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
PubChem CID60502729
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNc2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C22H25N5O/c1-17(28)27-15-13-26(14-16-27)12-11-23-22-19-9-5-6-10-20(19)24-21(25-22)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,23,24,25)
InChIKeyKCNYFGJEECWMFW-UHFFFAOYSA-N
XLogP2.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone (CID 60502729) is 1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCNc2nc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of 1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
The InChIKey is KCNYFGJEECWMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17(28)27-15-13-26(14-16-27)12-11-23-22-19-9-5-6-10-20(19)24-21(25-22)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,23,24,25).
What are the key properties of 1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone has a molecular weight of 375.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 60502729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).