4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one

C15H19NO4 — CID 139717298

IUPAC4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one
SMILESCC(C)Oc1c(O)c2ccc(O)cc2n(C(C)C)c1=O
InChIInChI=1S/C15H19NO4/c1-8(2)16-12-7-10(17)5-6-11(12)13(18)14(15(16)19)20-9(3)4/h5-9,17-18H,1-4H3
InChIKeyFGKTXBSNKVASSO-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.78
Rot. Bonds3

About 4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one

4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one (PubChem CID 139717298) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one.

Molecular Properties

Compound Name4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one
PubChem CID139717298
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one
SMILESCC(C)Oc1c(O)c2ccc(O)cc2n(C(C)C)c1=O
InChIInChI=1S/C15H19NO4/c1-8(2)16-12-7-10(17)5-6-11(12)13(18)14(15(16)19)20-9(3)4/h5-9,17-18H,1-4H3
InChIKeyFGKTXBSNKVASSO-UHFFFAOYSA-N
XLogP2.78
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-butoxy-4,7-dihydroxy-1-propan-2-ylquinolin-2-one
CID 139717653
7-hydroxy-4-methoxy-3-octoxy-1-propan-2-ylquinolin-2-one
CID 139716993
7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one
CID 54713859
4-hexoxy-7-hydroxy-3-phenylmethoxy-1-propan-2-ylquinolin-2-one
CID 139717520
7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139718369
4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717841
4-amino-3-propan-2-yloxyphenol
CID 69025591
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-hydroxy-3-octoxy-1-propan-2-ylquinolin-2-one
CID 139718538
5-tert-butyl-3,8-dihydroxyphenanthridin-6-one
CID 164598717
9-hydroxycarbazole-2,7-diol
CID 118518273
1-butyl-4,7-dihydroxy-3-octoxyquinolin-2-one
CID 139717591
3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one
CID 139718563

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one?
The IUPAC name of 4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one (CID 139717298) is 4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one.
What is the SMILES notation for 4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one?
The canonical SMILES for 4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one is CC(C)Oc1c(O)c2ccc(O)cc2n(C(C)C)c1=O.
What is the InChIKey of 4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one?
The InChIKey is FGKTXBSNKVASSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-8(2)16-12-7-10(17)5-6-11(12)13(18)14(15(16)19)20-9(3)4/h5-9,17-18H,1-4H3.
What are the key properties of 4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one?
4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one has a molecular weight of 277.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one is sourced from PubChem (CID 139717298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).