4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide

C16H18N2O4 — CID 54690091

IUPAC4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCC2CCCO2)c(O)c2ccccc21
InChIInChI=1S/C16H18N2O4/c1-18-12-7-3-2-6-11(12)14(19)13(16(18)21)15(20)17-9-10-5-4-8-22-10/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,17,20)
InChIKeyMWZQTTVAXBDOEL-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.15
Rot. Bonds3

About 4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide

4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 54690091) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
PubChem CID54690091
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCC2CCCO2)c(O)c2ccccc21
InChIInChI=1S/C16H18N2O4/c1-18-12-7-3-2-6-11(12)14(19)13(16(18)21)15(20)17-9-10-5-4-8-22-10/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,17,20)
InChIKeyMWZQTTVAXBDOEL-UHFFFAOYSA-N
XLogP1.15
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide (CID 54690091) is 4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide is Cn1c(=O)c(C(=O)NCC2CCCO2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is MWZQTTVAXBDOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-18-12-7-3-2-6-11(12)14(19)13(16(18)21)15(20)17-9-10-5-4-8-22-10/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,17,20).
What are the key properties of 4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide?
4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 54690091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).