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

C25H26N4O — CID 19423594

IUPAC4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H26N4O/c30-25-27-23-12-5-4-11-22(23)24(19-8-2-1-3-9-19)29(25)21-13-16-28(17-14-21)18-20-10-6-7-15-26-20/h1-12,15,21,24H,13-14,16-18H2,(H,27,30)
InChIKeyGUPAQFCUNHRGSI-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.68
Rot. Bonds4

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

4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one (PubChem CID 19423594) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
PubChem CID19423594
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H26N4O/c30-25-27-23-12-5-4-11-22(23)24(19-8-2-1-3-9-19)29(25)21-13-16-28(17-14-21)18-20-10-6-7-15-26-20/h1-12,15,21,24H,13-14,16-18H2,(H,27,30)
InChIKeyGUPAQFCUNHRGSI-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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Related Compounds

4-phenyl-3-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 10188853
4-phenyl-3-piperidin-4-yl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 19423581
oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
CID 2912739
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
3-[1-[(2,4-difluoro-3-methoxyphenyl)-fluoromethyl]piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one
CID 174446525
1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375615
2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53371663
2-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridine
CID 16667834
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-phenyl-4,5,6,7-tetrahydro-1H-2,4-benzodiazonin-3-one
CID 175655307
3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 122145878
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64880281

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one (CID 19423594) is 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one is O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The InChIKey is GUPAQFCUNHRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c30-25-27-23-12-5-4-11-22(23)24(19-8-2-1-3-9-19)29(25)21-13-16-28(17-14-21)18-20-10-6-7-15-26-20/h1-12,15,21,24H,13-14,16-18H2,(H,27,30).
What are the key properties of 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
4-phenyl-3-[1-(pyridin-2-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-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 19423594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).