7-amino-3-methyl-1-propanoylquinolin-2-one

C13H14N2O2 — CID 110668268

IUPAC7-amino-3-methyl-1-propanoylquinolin-2-one
SMILESCCC(=O)n1c(=O)c(C)cc2ccc(N)cc21
InChIInChI=1S/C13H14N2O2/c1-3-12(16)15-11-7-10(14)5-4-9(11)6-8(2)13(15)17/h4-7H,3,14H2,1-2H3
InChIKeyDGAYOQZMMACIGN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.94
Rot. Bonds1

About 7-amino-3-methyl-1-propanoylquinolin-2-one

7-amino-3-methyl-1-propanoylquinolin-2-one (PubChem CID 110668268) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 7-amino-3-methyl-1-propanoylquinolin-2-one.

Molecular Properties

Compound Name7-amino-3-methyl-1-propanoylquinolin-2-one
PubChem CID110668268
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name7-amino-3-methyl-1-propanoylquinolin-2-one
SMILESCCC(=O)n1c(=O)c(C)cc2ccc(N)cc21
InChIInChI=1S/C13H14N2O2/c1-3-12(16)15-11-7-10(14)5-4-9(11)6-8(2)13(15)17/h4-7H,3,14H2,1-2H3
InChIKeyDGAYOQZMMACIGN-UHFFFAOYSA-N
XLogP1.94
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-1-propanoylquinolin-2-one?
The IUPAC name of 7-amino-3-methyl-1-propanoylquinolin-2-one (CID 110668268) is 7-amino-3-methyl-1-propanoylquinolin-2-one.
What is the SMILES notation for 7-amino-3-methyl-1-propanoylquinolin-2-one?
The canonical SMILES for 7-amino-3-methyl-1-propanoylquinolin-2-one is CCC(=O)n1c(=O)c(C)cc2ccc(N)cc21.
What is the InChIKey of 7-amino-3-methyl-1-propanoylquinolin-2-one?
The InChIKey is DGAYOQZMMACIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-12(16)15-11-7-10(14)5-4-9(11)6-8(2)13(15)17/h4-7H,3,14H2,1-2H3.
What are the key properties of 7-amino-3-methyl-1-propanoylquinolin-2-one?
7-amino-3-methyl-1-propanoylquinolin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-1-propanoylquinolin-2-one is sourced from PubChem (CID 110668268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).