4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide

C15H18N2O6 — CID 54682415

IUPAC4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCCCO)c(O)c2cc1OC
InChIInChI=1S/C15H18N2O6/c1-22-10-6-8-9(7-11(10)23-2)17-15(21)12(13(8)19)14(20)16-4-3-5-18/h6-7,18H,3-5H2,1-2H3,(H,16,20)(H2,17,19,21)
InChIKeyVKZPLMVUWJOOMB-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.36
Rot. Bonds6

About 4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide

4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54682415) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54682415
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCCCO)c(O)c2cc1OC
InChIInChI=1S/C15H18N2O6/c1-22-10-6-8-9(7-11(10)23-2)17-15(21)12(13(8)19)14(20)16-4-3-5-18/h6-7,18H,3-5H2,1-2H3,(H,16,20)(H2,17,19,21)
InChIKeyVKZPLMVUWJOOMB-UHFFFAOYSA-N
XLogP0.36
TPSA120.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide (CID 54682415) is 4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide is COc1cc2[nH]c(=O)c(C(=O)NCCCO)c(O)c2cc1OC.
What is the InChIKey of 4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is VKZPLMVUWJOOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-22-10-6-8-9(7-11(10)23-2)17-15(21)12(13(8)19)14(20)16-4-3-5-18/h6-7,18H,3-5H2,1-2H3,(H,16,20)(H2,17,19,21).
What are the key properties of 4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 0.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54682415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).