1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide

C18H17N3O3 — CID 54690425

IUPAC1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2cccnc2)c(O)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-2-21-14-8-4-3-7-13(14)16(22)15(18(21)24)17(23)20-11-12-6-5-9-19-10-12/h3-10,22H,2,11H2,1H3,(H,20,23)
InChIKeyRVBCZKULBWPCRX-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.05
Rot. Bonds4

About 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide

1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide (PubChem CID 54690425) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
PubChem CID54690425
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2cccnc2)c(O)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-2-21-14-8-4-3-7-13(14)16(22)15(18(21)24)17(23)20-11-12-6-5-9-19-10-12/h3-10,22H,2,11H2,1H3,(H,20,23)
InChIKeyRVBCZKULBWPCRX-UHFFFAOYSA-N
XLogP2.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide (CID 54690425) is 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide is CCn1c(=O)c(C(=O)NCc2cccnc2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The InChIKey is RVBCZKULBWPCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-21-14-8-4-3-7-13(14)16(22)15(18(21)24)17(23)20-11-12-6-5-9-19-10-12/h3-10,22H,2,11H2,1H3,(H,20,23).
What are the key properties of 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 54690425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).