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

C25H25N3O2 — CID 56673710

IUPAC2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2cc(N3CCCC3)ccc2NC(Cc2ccccc2)N1c1ccc(O)cc1
InChIInChI=1S/C25H25N3O2/c29-21-11-8-19(9-12-21)28-24(16-18-6-2-1-3-7-18)26-23-13-10-20(17-22(23)25(28)30)27-14-4-5-15-27/h1-3,6-13,17,24,26,29H,4-5,14-16H2
InChIKeyZWYDOGMGFXTOGL-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.63
Rot. Bonds4

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

2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one (PubChem CID 56673710) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one
PubChem CID56673710
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2cc(N3CCCC3)ccc2NC(Cc2ccccc2)N1c1ccc(O)cc1
InChIInChI=1S/C25H25N3O2/c29-21-11-8-19(9-12-21)28-24(16-18-6-2-1-3-7-18)26-23-13-10-20(17-22(23)25(28)30)27-14-4-5-15-27/h1-3,6-13,17,24,26,29H,4-5,14-16H2
InChIKeyZWYDOGMGFXTOGL-UHFFFAOYSA-N
XLogP4.63
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.63
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
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-piperidin-1-yl-1,2-dihydroquinazolin-4-one
CID 53494967
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
2-(3-hydroxyphenyl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one
CID 2888388

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one (CID 56673710) is 2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one is O=C1c2cc(N3CCCC3)ccc2NC(Cc2ccccc2)N1c1ccc(O)cc1.
What is the InChIKey of 2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is ZWYDOGMGFXTOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-21-11-8-19(9-12-21)28-24(16-18-6-2-1-3-7-18)26-23-13-10-20(17-22(23)25(28)30)27-14-4-5-15-27/h1-3,6-13,17,24,26,29H,4-5,14-16H2.
What are the key properties of 2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
2-benzyl-3-(4-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 399.49 g/mol, XLogP of 4.63, 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-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 56673710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).