2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide

C25H30N4O2 — CID 70835315

IUPAC2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide
SMILESCCCC(O)C(=O)NC1CCN(c2nc(-c3ccccc3)nc3cc(C)ccc23)CC1
InChIInChI=1S/C25H30N4O2/c1-3-7-22(30)25(31)26-19-12-14-29(15-13-19)24-20-11-10-17(2)16-21(20)27-23(28-24)18-8-5-4-6-9-18/h4-6,8-11,16,19,22,30H,3,7,12-15H2,1-2H3,(H,26,31)
InChIKeyHRRHMVRSPOCZKM-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.85
Rot. Bonds6

About 2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide

2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide (PubChem CID 70835315) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide
PubChem CID70835315
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide
SMILESCCCC(O)C(=O)NC1CCN(c2nc(-c3ccccc3)nc3cc(C)ccc23)CC1
InChIInChI=1S/C25H30N4O2/c1-3-7-22(30)25(31)26-19-12-14-29(15-13-19)24-20-11-10-17(2)16-21(20)27-23(28-24)18-8-5-4-6-9-18/h4-6,8-11,16,19,22,30H,3,7,12-15H2,1-2H3,(H,26,31)
InChIKeyHRRHMVRSPOCZKM-UHFFFAOYSA-N
XLogP3.85
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide?
The IUPAC name of 2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide (CID 70835315) is 2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide.
What is the SMILES notation for 2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide?
The canonical SMILES for 2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide is CCCC(O)C(=O)NC1CCN(c2nc(-c3ccccc3)nc3cc(C)ccc23)CC1.
What is the InChIKey of 2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide?
The InChIKey is HRRHMVRSPOCZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-7-22(30)25(31)26-19-12-14-29(15-13-19)24-20-11-10-17(2)16-21(20)27-23(28-24)18-8-5-4-6-9-18/h4-6,8-11,16,19,22,30H,3,7,12-15H2,1-2H3,(H,26,31).
What are the key properties of 2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide?
2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide has a molecular weight of 418.54 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 70835315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).