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

C25H25N3O2 — CID 56673709

IUPAC2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2cc(N3CCCC3)ccc2NC(Cc2ccccc2)N1c1cccc(O)c1
InChIInChI=1S/C25H25N3O2/c29-21-10-6-9-20(16-21)28-24(15-18-7-2-1-3-8-18)26-23-12-11-19(17-22(23)25(28)30)27-13-4-5-14-27/h1-3,6-12,16-17,24,26,29H,4-5,13-15H2
InChIKeyAGCNTOMOXKCHSL-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.63
Rot. Bonds4

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

2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one (PubChem CID 56673709) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one
PubChem CID56673709
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2cc(N3CCCC3)ccc2NC(Cc2ccccc2)N1c1cccc(O)c1
InChIInChI=1S/C25H25N3O2/c29-21-10-6-9-20(16-21)28-24(15-18-7-2-1-3-8-18)26-23-12-11-19(17-22(23)25(28)30)27-13-4-5-14-27/h1-3,6-12,16-17,24,26,29H,4-5,13-15H2
InChIKeyAGCNTOMOXKCHSL-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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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one (CID 56673709) is 2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one is O=C1c2cc(N3CCCC3)ccc2NC(Cc2ccccc2)N1c1cccc(O)c1.
What is the InChIKey of 2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is AGCNTOMOXKCHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-21-10-6-9-20(16-21)28-24(15-18-7-2-1-3-8-18)26-23-12-11-19(17-22(23)25(28)30)27-13-4-5-14-27/h1-3,6-12,16-17,24,26,29H,4-5,13-15H2.
What are the key properties of 2-benzyl-3-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
2-benzyl-3-(3-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-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 56673709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).