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

C24H25N3O2 — CID 19423612

IUPAC3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C24H25N3O2/c28-24-25-22-9-5-4-8-21(22)23(19-6-2-1-3-7-19)27(24)20-10-13-26(14-11-20)16-18-12-15-29-17-18/h1-9,12,15,17,20,23H,10-11,13-14,16H2,(H,25,28)
InChIKeyIVKNLZSKZHRHJH-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.88
Rot. Bonds4

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

3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one (PubChem CID 19423612) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one
PubChem CID19423612
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C24H25N3O2/c28-24-25-22-9-5-4-8-21(22)23(19-6-2-1-3-7-19)27(24)20-10-13-26(14-11-20)16-18-12-15-29-17-18/h1-9,12,15,17,20,23H,10-11,13-14,16H2,(H,25,28)
InChIKeyIVKNLZSKZHRHJH-UHFFFAOYSA-N
XLogP4.88
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one (CID 19423612) is 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one is O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccoc2)CC1.
What is the InChIKey of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one?
The InChIKey is IVKNLZSKZHRHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24-25-22-9-5-4-8-21(22)23(19-6-2-1-3-7-19)27(24)20-10-13-26(14-11-20)16-18-12-15-29-17-18/h1-9,12,15,17,20,23H,10-11,13-14,16H2,(H,25,28).
What are the key properties of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one?
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 19423612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).