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

C14H18N2O — CID 81244865

IUPAC4-(butylamino)-1-methylquinolin-2-one
SMILESCCCCNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-3-4-9-15-12-10-14(17)16(2)13-8-6-5-7-11(12)13/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyRFSSFSCQLBULKV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.75
Rot. Bonds4

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

4-(butylamino)-1-methylquinolin-2-one (PubChem CID 81244865) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(butylamino)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(butylamino)-1-methylquinolin-2-one
PubChem CID81244865
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(butylamino)-1-methylquinolin-2-one
SMILESCCCCNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-3-4-9-15-12-10-14(17)16(2)13-8-6-5-7-11(12)13/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyRFSSFSCQLBULKV-UHFFFAOYSA-N
XLogP2.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-1-methylquinolin-2-one?
The IUPAC name of 4-(butylamino)-1-methylquinolin-2-one (CID 81244865) is 4-(butylamino)-1-methylquinolin-2-one.
What is the SMILES notation for 4-(butylamino)-1-methylquinolin-2-one?
The canonical SMILES for 4-(butylamino)-1-methylquinolin-2-one is CCCCNc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 4-(butylamino)-1-methylquinolin-2-one?
The InChIKey is RFSSFSCQLBULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-9-15-12-10-14(17)16(2)13-8-6-5-7-11(12)13/h5-8,10,15H,3-4,9H2,1-2H3.
What are the key properties of 4-(butylamino)-1-methylquinolin-2-one?
4-(butylamino)-1-methylquinolin-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-1-methylquinolin-2-one is sourced from PubChem (CID 81244865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).