2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone

C27H26N4O — CID 25071133

IUPAC2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Nc2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C27H26N4O/c32-25(19-20-9-3-1-4-10-20)31-17-15-22(16-18-31)28-27-29-24-14-8-7-13-23(24)26(30-27)21-11-5-2-6-12-21/h1-14,22H,15-19H2,(H,28,29,30)
InChIKeyYIHKSGNMTOHYDK-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.94
Rot. Bonds5

About 2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone

2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone (PubChem CID 25071133) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone
PubChem CID25071133
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Nc2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C27H26N4O/c32-25(19-20-9-3-1-4-10-20)31-17-15-22(16-18-31)28-27-29-24-14-8-7-13-23(24)26(30-27)21-11-5-2-6-12-21/h1-14,22H,15-19H2,(H,28,29,30)
InChIKeyYIHKSGNMTOHYDK-UHFFFAOYSA-N
XLogP4.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone (CID 25071133) is 2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCC(Nc2nc(-c3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of 2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is YIHKSGNMTOHYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c32-25(19-20-9-3-1-4-10-20)31-17-15-22(16-18-31)28-27-29-24-14-8-7-13-23(24)26(30-27)21-11-5-2-6-12-21/h1-14,22H,15-19H2,(H,28,29,30).
What are the key properties of 2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone?
2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 422.53 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 25071133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).