4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide

C13H14N2O5 — CID 151201427

IUPAC4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide
SMILESCCCOn1c(=O)c(C(N)=O)c(O)c2cc(O)ccc21
InChIInChI=1S/C13H14N2O5/c1-2-5-20-15-9-4-3-7(16)6-8(9)11(17)10(12(14)18)13(15)19/h3-4,6,16-17H,2,5H2,1H3,(H2,14,18)
InChIKeyNIJUYUDMTDMRSH-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.35
Rot. Bonds4

About 4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide

4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide (PubChem CID 151201427) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide
PubChem CID151201427
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide
SMILESCCCOn1c(=O)c(C(N)=O)c(O)c2cc(O)ccc21
InChIInChI=1S/C13H14N2O5/c1-2-5-20-15-9-4-3-7(16)6-8(9)11(17)10(12(14)18)13(15)19/h3-4,6,16-17H,2,5H2,1H3,(H2,14,18)
InChIKeyNIJUYUDMTDMRSH-UHFFFAOYSA-N
XLogP0.35
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide?
The IUPAC name of 4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide (CID 151201427) is 4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide.
What is the SMILES notation for 4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide?
The canonical SMILES for 4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide is CCCOn1c(=O)c(C(N)=O)c(O)c2cc(O)ccc21.
What is the InChIKey of 4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide?
The InChIKey is NIJUYUDMTDMRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-2-5-20-15-9-4-3-7(16)6-8(9)11(17)10(12(14)18)13(15)19/h3-4,6,16-17H,2,5H2,1H3,(H2,14,18).
What are the key properties of 4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide?
4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide has a molecular weight of 278.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide is sourced from PubChem (CID 151201427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).