3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one

C21H24N2O — CID 70399891

IUPAC3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one
SMILESCCCCNc1ccccc1Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C21H24N2O/c1-3-4-12-22-19-11-6-5-9-16(19)13-18-14-17-10-7-8-15(2)20(17)23-21(18)24/h5-11,14,22H,3-4,12-13H2,1-2H3,(H,23,24)
InChIKeyKRWZDDWFZLWEJL-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.64
Rot. Bonds6

About 3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one

3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 70399891) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one
PubChem CID70399891
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one
SMILESCCCCNc1ccccc1Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C21H24N2O/c1-3-4-12-22-19-11-6-5-9-16(19)13-18-14-17-10-7-8-15(2)20(17)23-21(18)24/h5-11,14,22H,3-4,12-13H2,1-2H3,(H,23,24)
InChIKeyKRWZDDWFZLWEJL-UHFFFAOYSA-N
XLogP4.64
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one (CID 70399891) is 3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one is CCCCNc1ccccc1Cc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of 3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is KRWZDDWFZLWEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-4-12-22-19-11-6-5-9-16(19)13-18-14-17-10-7-8-15(2)20(17)23-21(18)24/h5-11,14,22H,3-4,12-13H2,1-2H3,(H,23,24).
What are the key properties of 3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one?
3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 320.44 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 70399891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).