1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide

C17H15N3O4 — CID 54682087

IUPAC1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21
InChIInChI=1S/C17H15N3O4/c1-2-20-11-7-4-3-6-10(11)14(22)13(17(20)24)16(23)19-15-12(21)8-5-9-18-15/h3-9,21-22H,2H2,1H3,(H,18,19,23)
InChIKeyYCVZYCPJODDTQW-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.08
Rot. Bonds3

About 1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide

1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide (PubChem CID 54682087) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide
PubChem CID54682087
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21
InChIInChI=1S/C17H15N3O4/c1-2-20-11-7-4-3-6-10(11)14(22)13(17(20)24)16(23)19-15-12(21)8-5-9-18-15/h3-9,21-22H,2H2,1H3,(H,18,19,23)
InChIKeyYCVZYCPJODDTQW-UHFFFAOYSA-N
XLogP2.08
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide (CID 54682087) is 1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is YCVZYCPJODDTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-2-20-11-7-4-3-6-10(11)14(22)13(17(20)24)16(23)19-15-12(21)8-5-9-18-15/h3-9,21-22H,2H2,1H3,(H,18,19,23).
What are the key properties of 1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54682087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).