6-amino-4-methyl-3-propyl-1H-quinolin-2-one

C13H16N2O — CID 118872268

IUPAC6-amino-4-methyl-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(C)c2cc(N)ccc2[nH]c1=O
InChIInChI=1S/C13H16N2O/c1-3-4-10-8(2)11-7-9(14)5-6-12(11)15-13(10)16/h5-7H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyWXUBOIRGIYOEFZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.37
Rot. Bonds2

About 6-amino-4-methyl-3-propyl-1H-quinolin-2-one

6-amino-4-methyl-3-propyl-1H-quinolin-2-one (PubChem CID 118872268) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-amino-4-methyl-3-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-4-methyl-3-propyl-1H-quinolin-2-one
PubChem CID118872268
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-amino-4-methyl-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(C)c2cc(N)ccc2[nH]c1=O
InChIInChI=1S/C13H16N2O/c1-3-4-10-8(2)11-7-9(14)5-6-12(11)15-13(10)16/h5-7H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyWXUBOIRGIYOEFZ-UHFFFAOYSA-N
XLogP2.37
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxyquinoline
CID 6038
N-(3-Methylphenyl)acetamide
CID 10843
N-acetyl-o-toluidine
CID 8443
Lgd 2226
CID 11560224
4-Methylquinolin-2-ol
CID 69088
Hydrocarbostyril
CID 64796
O-Ethylacetanilide
CID 36332
Acetamide, N-1-naphthalenyl-
CID 68461
6-Methylquinolin-2(1H)-one
CID 12237458
3-Aminobenzanilide
CID 84347
4,8-Dimethyl-2-hydroxyquinoline
CID 220708
2',3'-Acetoxylidide
CID 8656

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-3-propyl-1H-quinolin-2-one?
The IUPAC name of 6-amino-4-methyl-3-propyl-1H-quinolin-2-one (CID 118872268) is 6-amino-4-methyl-3-propyl-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-4-methyl-3-propyl-1H-quinolin-2-one?
The canonical SMILES for 6-amino-4-methyl-3-propyl-1H-quinolin-2-one is CCCc1c(C)c2cc(N)ccc2[nH]c1=O.
What is the InChIKey of 6-amino-4-methyl-3-propyl-1H-quinolin-2-one?
The InChIKey is WXUBOIRGIYOEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-4-10-8(2)11-7-9(14)5-6-12(11)15-13(10)16/h5-7H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of 6-amino-4-methyl-3-propyl-1H-quinolin-2-one?
6-amino-4-methyl-3-propyl-1H-quinolin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-3-propyl-1H-quinolin-2-one is sourced from PubChem (CID 118872268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).