N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C19H16N2O4 — CID 138583386

IUPACN-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCn1c(=O)ccc2c(NC(=O)c3ccc4c(c3)OCCO4)cccc21
InChIInChI=1S/C19H16N2O4/c1-21-15-4-2-3-14(13(15)6-8-18(21)22)20-19(23)12-5-7-16-17(11-12)25-10-9-24-16/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyOSGBFXPPIRLYLS-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.56
Rot. Bonds2

About N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 138583386) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID138583386
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCn1c(=O)ccc2c(NC(=O)c3ccc4c(c3)OCCO4)cccc21
InChIInChI=1S/C19H16N2O4/c1-21-15-4-2-3-14(13(15)6-8-18(21)22)20-19(23)12-5-7-16-17(11-12)25-10-9-24-16/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyOSGBFXPPIRLYLS-UHFFFAOYSA-N
XLogP2.56
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 138583386) is N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cn1c(=O)ccc2c(NC(=O)c3ccc4c(c3)OCCO4)cccc21.
What is the InChIKey of N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is OSGBFXPPIRLYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-21-15-4-2-3-14(13(15)6-8-18(21)22)20-19(23)12-5-7-16-17(11-12)25-10-9-24-16/h2-8,11H,9-10H2,1H3,(H,20,23).
What are the key properties of N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 138583386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).