N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide

C14H14N2O3 — CID 11172933

IUPACN-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide
SMILESCCCC(=O)NC1=CC(=O)c2ccc(C)nc2C1=O
InChIInChI=1S/C14H14N2O3/c1-3-4-12(18)16-10-7-11(17)9-6-5-8(2)15-13(9)14(10)19/h5-7H,3-4H2,1-2H3,(H,16,18)
InChIKeyDERUEVFMMRKSCH-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.57
Rot. Bonds3

About N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide

N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide (PubChem CID 11172933) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide.

Molecular Properties

Compound NameN-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide
PubChem CID11172933
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide
SMILESCCCC(=O)NC1=CC(=O)c2ccc(C)nc2C1=O
InChIInChI=1S/C14H14N2O3/c1-3-4-12(18)16-10-7-11(17)9-6-5-8(2)15-13(9)14(10)19/h5-7H,3-4H2,1-2H3,(H,16,18)
InChIKeyDERUEVFMMRKSCH-UHFFFAOYSA-N
XLogP1.57
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide?
The IUPAC name of N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide (CID 11172933) is N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide.
What is the SMILES notation for N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide?
The canonical SMILES for N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide is CCCC(=O)NC1=CC(=O)c2ccc(C)nc2C1=O.
What is the InChIKey of N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide?
The InChIKey is DERUEVFMMRKSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-4-12(18)16-10-7-11(17)9-6-5-8(2)15-13(9)14(10)19/h5-7H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide?
N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide has a molecular weight of 258.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide is sourced from PubChem (CID 11172933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).