4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one

C25H26N4O — CID 19423614

IUPAC4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H26N4O/c30-25-27-23-9-5-4-8-22(23)24(20-6-2-1-3-7-20)29(25)21-12-16-28(17-13-21)18-19-10-14-26-15-11-19/h1-11,14-15,21,24H,12-13,16-18H2,(H,27,30)
InChIKeyVEIMQHRZTQKUIN-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.68
Rot. Bonds4

About 4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one

4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one (PubChem CID 19423614) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
PubChem CID19423614
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H26N4O/c30-25-27-23-9-5-4-8-22(23)24(20-6-2-1-3-7-20)29(25)21-12-16-28(17-13-21)18-19-10-14-26-15-11-19/h1-11,14-15,21,24H,12-13,16-18H2,(H,27,30)
InChIKeyVEIMQHRZTQKUIN-UHFFFAOYSA-N
XLogP4.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one (CID 19423614) is 4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one is O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The InChIKey is VEIMQHRZTQKUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c30-25-27-23-9-5-4-8-22(23)24(20-6-2-1-3-7-20)29(25)21-12-16-28(17-13-21)18-19-10-14-26-15-11-19/h1-11,14-15,21,24H,12-13,16-18H2,(H,27,30).
What are the key properties of 4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one has a molecular weight of 398.51 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 19423614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).