2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide

C143H138Cl6F4N24O6 — CID 159440077

IUPAC2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1.Cc1cc(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc(C(F)(F)F)c1.Nc1ccc(N)c(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1.O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1NCc1ccccc1.O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccccc1NCCc1ccccc1.O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccccc1Nc1cccc2ccccc12
InChIInChI=1S/C29H25ClN4O.C27H27ClN4O.C26H24ClFN4O.C21H19ClF3N3O.C21H23ClN4O.C19H20ClN5O/c30-21-13-14-23-25(15-18-32-28(23)19-21)31-16-6-17-33-29(35)24-10-3-4-11-27(24)34-26-12-5-8-20-7-1-2-9-22(20)26;28-21-11-12-22-25(14-18-31-26(22)19-21)29-15-6-16-32-27(33)23-9-4-5-10-24(23)30-17-13-20-7-2-1-3-8-20;27-19-7-9-21-23(11-14-30-24(21)15-19)29-12-4-13-31-26(33)22-10-8-20(28)16-25(22)32-17-18-5-2-1-3-6-18;1-13-9-14(11-15(10-13)21(23,24)25)20(29)28-7-2-6-26-18-5-8-27-19-12-16(22)3-4-17(18)19;1-26(2)17-6-3-5-15(13-17)21(27)25-11-4-10-23-19-9-12-24-20-14-16(22)7-8-18(19)20;20-12-2-4-14-17(6-9-24-18(14)10-12)23-7-1-8-25-19(26)15-11-13(21)3-5-16(15)22/h1-5,7-15,18-19,34H,6,16-17H2,(H,31,32)(H,33,35);1-5,7-12,14,18-19,30H,6,13,15-17H2,(H,29,31)(H,32,33);1-3,5-11,14-16,32H,4,12-13,17H2,(H,29,30)(H,31,33);3-5,8-12H,2,6-7H2,1H3,(H,26,27)(H,28,29);3,5-9,12-14H,4,10-11H2,1-2H3,(H,23,24)(H,25,27);2-6,9-11H,1,7-8,21-22H2,(H,23,24)(H,25,26)
InChIKeyLSBBVMSTMKFQKF-UHFFFAOYSA-N
MW2577.55 g/mol
LogP31.58
Rot. Bonds46

About 2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide

2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide (PubChem CID 159440077) has the molecular formula C143H138Cl6F4N24O6 and a molecular weight of 2577.55 g/mol. Its IUPAC name is 2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide
PubChem CID159440077
Molecular FormulaC143H138Cl6F4N24O6
Molecular Weight2577.55 g/mol
Exact Mass2572.93
IUPAC Name2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1.Cc1cc(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc(C(F)(F)F)c1.Nc1ccc(N)c(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1.O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1NCc1ccccc1.O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccccc1NCCc1ccccc1.O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccccc1Nc1cccc2ccccc12
InChIInChI=1S/C29H25ClN4O.C27H27ClN4O.C26H24ClFN4O.C21H19ClF3N3O.C21H23ClN4O.C19H20ClN5O/c30-21-13-14-23-25(15-18-32-28(23)19-21)31-16-6-17-33-29(35)24-10-3-4-11-27(24)34-26-12-5-8-20-7-1-2-9-22(20)26;28-21-11-12-22-25(14-18-31-26(22)19-21)29-15-6-16-32-27(33)23-9-4-5-10-24(23)30-17-13-20-7-2-1-3-8-20;27-19-7-9-21-23(11-14-30-24(21)15-19)29-12-4-13-31-26(33)22-10-8-20(28)16-25(22)32-17-18-5-2-1-3-6-18;1-13-9-14(11-15(10-13)21(23,24)25)20(29)28-7-2-6-26-18-5-8-27-19-12-16(22)3-4-17(18)19;1-26(2)17-6-3-5-15(13-17)21(27)25-11-4-10-23-19-9-12-24-20-14-16(22)7-8-18(19)20;20-12-2-4-14-17(6-9-24-18(14)10-12)23-7-1-8-25-19(26)15-11-13(21)3-5-16(15)22/h1-5,7-15,18-19,34H,6,16-17H2,(H,31,32)(H,33,35);1-5,7-12,14,18-19,30H,6,13,15-17H2,(H,29,31)(H,32,33);1-3,5-11,14-16,32H,4,12-13,17H2,(H,29,30)(H,31,33);3-5,8-12H,2,6-7H2,1H3,(H,26,27)(H,28,29);3,5-9,12-14H,4,10-11H2,1-2H3,(H,23,24)(H,25,27);2-6,9-11H,1,7-8,21-22H2,(H,23,24)(H,25,26)
InChIKeyLSBBVMSTMKFQKF-UHFFFAOYSA-N
XLogP31.58
TPSA415.49 Ų
H-Bond Donors17
H-Bond Acceptors24
Rotatable Bonds46
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002577.55
LogP ≤ 531.58
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(7-Chloroquinolin-4-yl)amino]butyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 155511826
2-[8-[(7-Chloroquinolin-4-yl)amino]octyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 155536660
2-[6-[(7-Chloroquinolin-4-yl)amino]hexyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 155553736
2-[3-[(7-Chloroquinolin-4-yl)amino]propyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 155559687
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide
CID 44544028
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-pyridin-4-ylbenzamide
CID 22641608
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide
CID 22641663
3-(3-aminophenyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-fluorobenzamide
CID 22641749
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 87610811
4-[4-[9-(6-ethenyl-5-prop-1-enyl-3-pyridinyl)-2-oxo-4-[5-[2-oxo-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]naphthalen-1-yl]benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylazepan-4-yl)benzamide
CID 123643376
4-[4-[2-Oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
CID 123807972
5-[2-[3-[[2-[(8-chloroquinolin-4-yl)amino]benzoyl]amino]piperidin-1-yl]ethyl]-N-(1-ethylpiperidin-3-yl)-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide
CID 139480085

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide?
The IUPAC name of 2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide (CID 159440077) is 2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide.
What is the SMILES notation for 2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide?
The canonical SMILES for 2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide is CN(C)c1cccc(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1.Cc1cc(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc(C(F)(F)F)c1.Nc1ccc(N)c(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1.O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1NCc1ccccc1.O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccccc1NCCc1ccccc1.O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccccc1Nc1cccc2ccccc12.
What is the InChIKey of 2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide?
The InChIKey is LSBBVMSTMKFQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O.C27H27ClN4O.C26H24ClFN4O.C21H19ClF3N3O.C21H23ClN4O.C19H20ClN5O/c30-21-13-14-23-25(15-18-32-28(23)19-21)31-16-6-17-33-29(35)24-10-3-4-11-27(24)34-26-12-5-8-20-7-1-2-9-22(20)26;28-21-11-12-22-25(14-18-31-26(22)19-21)29-15-6-16-32-27(33)23-9-4-5-10-24(23)30-17-13-20-7-2-1-3-8-20;27-19-7-9-21-23(11-14-30-24(21)15-19)29-12-4-13-31-26(33)22-10-8-20(28)16-25(22)32-17-18-5-2-1-3-6-18;1-13-9-14(11-15(10-13)21(23,24)25)20(29)28-7-2-6-26-18-5-8-27-19-12-16(22)3-4-17(18)19;1-26(2)17-6-3-5-15(13-17)21(27)25-11-4-10-23-19-9-12-24-20-14-16(22)7-8-18(19)20;20-12-2-4-14-17(6-9-24-18(14)10-12)23-7-1-8-25-19(26)15-11-13(21)3-5-16(15)22/h1-5,7-15,18-19,34H,6,16-17H2,(H,31,32)(H,33,35);1-5,7-12,14,18-19,30H,6,13,15-17H2,(H,29,31)(H,32,33);1-3,5-11,14-16,32H,4,12-13,17H2,(H,29,30)(H,31,33);3-5,8-12H,2,6-7H2,1H3,(H,26,27)(H,28,29);3,5-9,12-14H,4,10-11H2,1-2H3,(H,23,24)(H,25,27);2-6,9-11H,1,7-8,21-22H2,(H,23,24)(H,25,26).
What are the key properties of 2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide?
2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide has a molecular weight of 2577.55 g/mol, XLogP of 31.58, 46 rotatable bonds, 17 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-fluorobenzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(naphthalen-1-ylamino)benzamide;N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(2-phenylethylamino)benzamide;2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide is sourced from PubChem (CID 159440077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).