1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride

C23H29ClN2O — CID 23634785

IUPAC1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride
SMILESCCCCCn1cc(CNCCc2ccccc2)c(=O)c2ccccc21.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-2-3-9-16-25-18-20(23(26)21-12-7-8-13-22(21)25)17-24-15-14-19-10-5-4-6-11-19;/h4-8,10-13,18,24H,2-3,9,14-17H2,1H3;1H
InChIKeyFZPBRVDYIATRDT-UHFFFAOYSA-N
MW384.95 g/mol
LogP4.95
Rot. Bonds9

About 1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride

1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride (PubChem CID 23634785) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride
PubChem CID23634785
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride
SMILESCCCCCn1cc(CNCCc2ccccc2)c(=O)c2ccccc21.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-2-3-9-16-25-18-20(23(26)21-12-7-8-13-22(21)25)17-24-15-14-19-10-5-4-6-11-19;/h4-8,10-13,18,24H,2-3,9,14-17H2,1H3;1H
InChIKeyFZPBRVDYIATRDT-UHFFFAOYSA-N
XLogP4.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.95
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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Related Compounds

2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
CID 66408210
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094
N-methyl-2-[3-(propylaminomethyl)indol-1-yl]acetamide
CID 66410167

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride?
The IUPAC name of 1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride (CID 23634785) is 1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride.
What is the SMILES notation for 1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride?
The canonical SMILES for 1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride is CCCCCn1cc(CNCCc2ccccc2)c(=O)c2ccccc21.Cl.
What is the InChIKey of 1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride?
The InChIKey is FZPBRVDYIATRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O.ClH/c1-2-3-9-16-25-18-20(23(26)21-12-7-8-13-22(21)25)17-24-15-14-19-10-5-4-6-11-19;/h4-8,10-13,18,24H,2-3,9,14-17H2,1H3;1H.
What are the key properties of 1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride?
1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride is sourced from PubChem (CID 23634785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).