5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide

C71H81N9O5 — CID 161233432

IUPAC5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCN(C)CCCCC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1.Cc1cc(-c2cccc(C(=O)NCCCN3CCN(C)CC3)c2)cc2cccnc12.Cc1cc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)cc2cccnc12
InChIInChI=1S/C25H30N4O.C24H27N3O2.C22H24N2O2/c1-19-16-23(18-21-8-4-9-26-24(19)21)20-6-3-7-22(17-20)25(30)27-10-5-11-29-14-12-28(2)13-15-29;1-18-15-22(17-20-7-3-8-25-23(18)20)19-5-2-6-21(16-19)24(28)26-9-4-10-27-11-13-29-14-12-27;1-24(2)13-4-3-7-20(25)17-10-8-16(9-11-17)19-14-18-6-5-12-23-22(18)21(26)15-19/h3-4,6-9,16-18H,5,10-15H2,1-2H3,(H,27,30);2-3,5-8,15-17H,4,9-14H2,1H3,(H,26,28);5-6,8-12,14-15,26H,3-4,7,13H2,1-2H3
InChIKeyUZBFNSVYZZCDIN-UHFFFAOYSA-N
MW1140.49 g/mol
LogP11.76
Rot. Bonds19

About 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide

5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 161233432) has the molecular formula C71H81N9O5 and a molecular weight of 1140.49 g/mol. Its IUPAC name is 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID161233432
Molecular FormulaC71H81N9O5
Molecular Weight1140.49 g/mol
Exact Mass1139.64
IUPAC Name5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCN(C)CCCCC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1.Cc1cc(-c2cccc(C(=O)NCCCN3CCN(C)CC3)c2)cc2cccnc12.Cc1cc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)cc2cccnc12
InChIInChI=1S/C25H30N4O.C24H27N3O2.C22H24N2O2/c1-19-16-23(18-21-8-4-9-26-24(19)21)20-6-3-7-22(17-20)25(30)27-10-5-11-29-14-12-28(2)13-15-29;1-18-15-22(17-20-7-3-8-25-23(18)20)19-5-2-6-21(16-19)24(28)26-9-4-10-27-11-13-29-14-12-27;1-24(2)13-4-3-7-20(25)17-10-8-16(9-11-17)19-14-18-6-5-12-23-22(18)21(26)15-19/h3-4,6-9,16-18H,5,10-15H2,1-2H3,(H,27,30);2-3,5-8,15-17H,4,9-14H2,1H3,(H,26,28);5-6,8-12,14-15,26H,3-4,7,13H2,1-2H3
InChIKeyUZBFNSVYZZCDIN-UHFFFAOYSA-N
XLogP11.76
TPSA156.36 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001140.49
LogP ≤ 511.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide with MolForge

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Related Compounds

[3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone
CID 70679265
3-bromo-N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446114
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one
CID 147119040
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446140
3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 118763152
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 56951245
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide
CID 171446127
6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 172658373
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 161233432) is 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide is CN(C)CCCCC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1.Cc1cc(-c2cccc(C(=O)NCCCN3CCN(C)CC3)c2)cc2cccnc12.Cc1cc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)cc2cccnc12.
What is the InChIKey of 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is UZBFNSVYZZCDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O.C24H27N3O2.C22H24N2O2/c1-19-16-23(18-21-8-4-9-26-24(19)21)20-6-3-7-22(17-20)25(30)27-10-5-11-29-14-12-28(2)13-15-29;1-18-15-22(17-20-7-3-8-25-23(18)20)19-5-2-6-21(16-19)24(28)26-9-4-10-27-11-13-29-14-12-27;1-24(2)13-4-3-7-20(25)17-10-8-16(9-11-17)19-14-18-6-5-12-23-22(18)21(26)15-19/h3-4,6-9,16-18H,5,10-15H2,1-2H3,(H,27,30);2-3,5-8,15-17H,4,9-14H2,1H3,(H,26,28);5-6,8-12,14-15,26H,3-4,7,13H2,1-2H3.
What are the key properties of 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 1140.49 g/mol, XLogP of 11.76, 19 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 161233432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).