7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one

C16H22N2O3 — CID 5492526

IUPAC7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
SMILESCCC(NC(C)C)C(O)c1cc(O)cc2[nH]c(=O)ccc12
InChIInChI=1S/C16H22N2O3/c1-4-13(17-9(2)3)16(21)12-7-10(19)8-14-11(12)5-6-15(20)18-14/h5-9,13,16-17,19,21H,4H2,1-3H3,(H,18,20)
InChIKeyJHLIBIJQWPLLFZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.04
Rot. Bonds5

About 7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one

7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one (PubChem CID 5492526) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
PubChem CID5492526
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
SMILESCCC(NC(C)C)C(O)c1cc(O)cc2[nH]c(=O)ccc12
InChIInChI=1S/C16H22N2O3/c1-4-13(17-9(2)3)16(21)12-7-10(19)8-14-11(12)5-6-15(20)18-14/h5-9,13,16-17,19,21H,4H2,1-3H3,(H,18,20)
InChIKeyJHLIBIJQWPLLFZ-UHFFFAOYSA-N
XLogP2.04
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one?
The IUPAC name of 7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one (CID 5492526) is 7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one?
The canonical SMILES for 7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one is CCC(NC(C)C)C(O)c1cc(O)cc2[nH]c(=O)ccc12.
What is the InChIKey of 7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one?
The InChIKey is JHLIBIJQWPLLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-13(17-9(2)3)16(21)12-7-10(19)8-14-11(12)5-6-15(20)18-14/h5-9,13,16-17,19,21H,4H2,1-3H3,(H,18,20).
What are the key properties of 7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one?
7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one is sourced from PubChem (CID 5492526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).