6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one

C25H27N3O4 — CID 19983161

IUPAC6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
SMILESCN1CCN(C2c3c(c4ccccc4n(Cc4ccccc4)c3=O)OC(C)(C)C2O)C1=O
InChIInChI=1S/C25H27N3O4/c1-25(2)22(29)20(27-14-13-26(3)24(27)31)19-21(32-25)17-11-7-8-12-18(17)28(23(19)30)15-16-9-5-4-6-10-16/h4-12,20,22,29H,13-15H2,1-3H3
InChIKeyZLOYMRWQPYCMPA-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.99
Rot. Bonds3

About 6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one

6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one (PubChem CID 19983161) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
PubChem CID19983161
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
SMILESCN1CCN(C2c3c(c4ccccc4n(Cc4ccccc4)c3=O)OC(C)(C)C2O)C1=O
InChIInChI=1S/C25H27N3O4/c1-25(2)22(29)20(27-14-13-26(3)24(27)31)19-21(32-25)17-11-7-8-12-18(17)28(23(19)30)15-16-9-5-4-6-10-16/h4-12,20,22,29H,13-15H2,1-3H3
InChIKeyZLOYMRWQPYCMPA-UHFFFAOYSA-N
XLogP2.99
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The IUPAC name of 6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one (CID 19983161) is 6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one is CN1CCN(C2c3c(c4ccccc4n(Cc4ccccc4)c3=O)OC(C)(C)C2O)C1=O.
What is the InChIKey of 6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The InChIKey is ZLOYMRWQPYCMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-25(2)22(29)20(27-14-13-26(3)24(27)31)19-21(32-25)17-11-7-8-12-18(17)28(23(19)30)15-16-9-5-4-6-10-16/h4-12,20,22,29H,13-15H2,1-3H3.
What are the key properties of 6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one?
6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one has a molecular weight of 433.51 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 19983161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).