2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one

C26H27N3O2 — CID 53494967

IUPAC2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2cc(N3CCCCC3)ccc2NC(Cc2ccccc2)N1c1ccc(O)cc1
InChIInChI=1S/C26H27N3O2/c30-22-12-9-20(10-13-22)29-25(17-19-7-3-1-4-8-19)27-24-14-11-21(18-23(24)26(29)31)28-15-5-2-6-16-28/h1,3-4,7-14,18,25,27,30H,2,5-6,15-17H2
InChIKeyKEQZMBNINGGAPZ-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.02
Rot. Bonds4

About 2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one

2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one (PubChem CID 53494967) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one
PubChem CID53494967
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2cc(N3CCCCC3)ccc2NC(Cc2ccccc2)N1c1ccc(O)cc1
InChIInChI=1S/C26H27N3O2/c30-22-12-9-20(10-13-22)29-25(17-19-7-3-1-4-8-19)27-24-14-11-21(18-23(24)26(29)31)28-15-5-2-6-16-28/h1,3-4,7-14,18,25,27,30H,2,5-6,15-17H2
InChIKeyKEQZMBNINGGAPZ-UHFFFAOYSA-N
XLogP5.02
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 3117364
2-(4-Hydroxy-phenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 2793325
3-(4-Fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2796531
3-Hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2873178
N-[4-[[(E)-3-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoyl]amino]butyl]-8-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)octanamide
CID 166634234
3'-(4-hydroxyphenyl)-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
CID 686788
2-(3-allyl-2-hydroxyphenyl)-3-hydroxy-2,3-dihydro-4(1H)-quinazolinone
CID 2872630
2-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 2888678
2-Benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one
CID 56673710
N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide
CID 151532669
3-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 4688899
2-(4-hydroxyphenyl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one
CID 2887665

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one (CID 53494967) is 2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one is O=C1c2cc(N3CCCCC3)ccc2NC(Cc2ccccc2)N1c1ccc(O)cc1.
What is the InChIKey of 2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is KEQZMBNINGGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-22-12-9-20(10-13-22)29-25(17-19-7-3-1-4-8-19)27-24-14-11-21(18-23(24)26(29)31)28-15-5-2-6-16-28/h1,3-4,7-14,18,25,27,30H,2,5-6,15-17H2.
What are the key properties of 2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one?
2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 413.52 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-hydroxyphenyl)-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 53494967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).