4-(cyclobutylamino)-1-methylquinolin-2-one

C14H16N2O — CID 81244035

IUPAC4-(cyclobutylamino)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CCC2)c2ccccc21
InChIInChI=1S/C14H16N2O/c1-16-13-8-3-2-7-11(13)12(9-14(16)17)15-10-5-4-6-10/h2-3,7-10,15H,4-6H2,1H3
InChIKeyNQLYIUOCMAHPHS-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.50
Rot. Bonds2

About 4-(cyclobutylamino)-1-methylquinolin-2-one

4-(cyclobutylamino)-1-methylquinolin-2-one (PubChem CID 81244035) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(cyclobutylamino)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(cyclobutylamino)-1-methylquinolin-2-one
PubChem CID81244035
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-(cyclobutylamino)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CCC2)c2ccccc21
InChIInChI=1S/C14H16N2O/c1-16-13-8-3-2-7-11(13)12(9-14(16)17)15-10-5-4-6-10/h2-3,7-10,15H,4-6H2,1H3
InChIKeyNQLYIUOCMAHPHS-UHFFFAOYSA-N
XLogP2.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-1-methylquinolin-2-one?
The IUPAC name of 4-(cyclobutylamino)-1-methylquinolin-2-one (CID 81244035) is 4-(cyclobutylamino)-1-methylquinolin-2-one.
What is the SMILES notation for 4-(cyclobutylamino)-1-methylquinolin-2-one?
The canonical SMILES for 4-(cyclobutylamino)-1-methylquinolin-2-one is Cn1c(=O)cc(NC2CCC2)c2ccccc21.
What is the InChIKey of 4-(cyclobutylamino)-1-methylquinolin-2-one?
The InChIKey is NQLYIUOCMAHPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16-13-8-3-2-7-11(13)12(9-14(16)17)15-10-5-4-6-10/h2-3,7-10,15H,4-6H2,1H3.
What are the key properties of 4-(cyclobutylamino)-1-methylquinolin-2-one?
4-(cyclobutylamino)-1-methylquinolin-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-1-methylquinolin-2-one is sourced from PubChem (CID 81244035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).