1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide

C15H16N2O4 — CID 59397923

IUPAC1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)n(CC2OCCO2)c2ccccc12
InChIInChI=1S/C15H16N2O4/c1-16-15(19)11-8-13(18)17(9-14-20-6-7-21-14)12-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3,(H,16,19)
InChIKeyWSUINEQSFKLNRT-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.73
Rot. Bonds3

About 1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide

1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 59397923) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide
PubChem CID59397923
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)n(CC2OCCO2)c2ccccc12
InChIInChI=1S/C15H16N2O4/c1-16-15(19)11-8-13(18)17(9-14-20-6-7-21-14)12-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3,(H,16,19)
InChIKeyWSUINEQSFKLNRT-UHFFFAOYSA-N
XLogP0.73
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide (CID 59397923) is 1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide is CNC(=O)c1cc(=O)n(CC2OCCO2)c2ccccc12.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is WSUINEQSFKLNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-16-15(19)11-8-13(18)17(9-14-20-6-7-21-14)12-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3,(H,16,19).
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide?
1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)-N-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 59397923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).