2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one

C25H23N3O2 — CID 118053225

IUPAC2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one
SMILESNc1nc2cc(-c3ccccc3)cc(-c3ccccc3)c2c(=O)n1CC1CCCO1
InChIInChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-8-3-1-4-9-17)14-21(18-10-5-2-6-11-18)23(22)24(29)28(25)16-20-12-7-13-30-20/h1-6,8-11,14-15,20H,7,12-13,16H2,(H2,26,27)
InChIKeyIMBYOIMXDIZCJN-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.49
Rot. Bonds4

About 2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one

2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one (PubChem CID 118053225) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one.

Molecular Properties

Compound Name2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one
PubChem CID118053225
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one
SMILESNc1nc2cc(-c3ccccc3)cc(-c3ccccc3)c2c(=O)n1CC1CCCO1
InChIInChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-8-3-1-4-9-17)14-21(18-10-5-2-6-11-18)23(22)24(29)28(25)16-20-12-7-13-30-20/h1-6,8-11,14-15,20H,7,12-13,16H2,(H2,26,27)
InChIKeyIMBYOIMXDIZCJN-UHFFFAOYSA-N
XLogP4.49
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-7-(3-chlorophenyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 118053030
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
2-amino-3-[[5-(3-chlorophenyl)oxolan-2-yl]methyl]-7-phenylquinazolin-4-one
CID 118052970
1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360
7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2926784
3-(oxolan-2-ylmethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
CID 90331972
4-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 40619169
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233794
3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one
CID 82520976
7-[[(2R)-oxolan-2-yl]methyl]-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 92896257
6-methyl-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 4512416

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one?
The IUPAC name of 2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one (CID 118053225) is 2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one.
What is the SMILES notation for 2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one?
The canonical SMILES for 2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one is Nc1nc2cc(-c3ccccc3)cc(-c3ccccc3)c2c(=O)n1CC1CCCO1.
What is the InChIKey of 2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one?
The InChIKey is IMBYOIMXDIZCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-8-3-1-4-9-17)14-21(18-10-5-2-6-11-18)23(22)24(29)28(25)16-20-12-7-13-30-20/h1-6,8-11,14-15,20H,7,12-13,16H2,(H2,26,27).
What are the key properties of 2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one?
2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one has a molecular weight of 397.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one is sourced from PubChem (CID 118053225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).