tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine

C124H156Cl5N17 — CID 158591316

IUPACtris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine
SMILESCC(C)(C)NCCCNc1c(-c2ccc(CN3CCCCC3)cc2)cnc2cc(Cl)ccc12.CC(C)(C)NCCCNc1c(-c2ccc(N3CCCCC3)cc2)cnc2cc(Cl)ccc12.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1
InChIInChI=1S/C28H37ClN4.C27H35ClN4.3C23H28ClN3/c1-28(2,3)32-15-7-14-30-27-24-13-12-23(29)18-26(24)31-19-25(27)22-10-8-21(9-11-22)20-33-16-5-4-6-17-33;1-27(2,3)31-15-7-14-29-26-23-13-10-21(28)18-25(23)30-19-24(26)20-8-11-22(12-9-20)32-16-5-4-6-17-32;3*1-16-6-8-17(9-7-16)20-15-26-21-14-18(24)10-11-19(21)22(20)25-12-5-13-27-23(2,3)4/h8-13,18-19,32H,4-7,14-17,20H2,1-3H3,(H,30,31);8-13,18-19,31H,4-7,14-17H2,1-3H3,(H,29,30);3*6-11,14-15,27H,5,12-13H2,1-4H3,(H,25,26)
InChIKeyHUMAZEAYKZZKAC-UHFFFAOYSA-N
MW2062.00 g/mol
LogP31.63
Rot. Bonds33

About tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine

tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine (PubChem CID 158591316) has the molecular formula C124H156Cl5N17 and a molecular weight of 2062.00 g/mol. Its IUPAC name is tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound Nametris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine
PubChem CID158591316
Molecular FormulaC124H156Cl5N17
Molecular Weight2062.00 g/mol
Exact Mass2058.12
IUPAC Nametris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine
SMILESCC(C)(C)NCCCNc1c(-c2ccc(CN3CCCCC3)cc2)cnc2cc(Cl)ccc12.CC(C)(C)NCCCNc1c(-c2ccc(N3CCCCC3)cc2)cnc2cc(Cl)ccc12.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1
InChIInChI=1S/C28H37ClN4.C27H35ClN4.3C23H28ClN3/c1-28(2,3)32-15-7-14-30-27-24-13-12-23(29)18-26(24)31-19-25(27)22-10-8-21(9-11-22)20-33-16-5-4-6-17-33;1-27(2,3)31-15-7-14-29-26-23-13-10-21(28)18-25(23)30-19-24(26)20-8-11-22(12-9-20)32-16-5-4-6-17-32;3*1-16-6-8-17(9-7-16)20-15-26-21-14-18(24)10-11-19(21)22(20)25-12-5-13-27-23(2,3)4/h8-13,18-19,32H,4-7,14-17,20H2,1-3H3,(H,30,31);8-13,18-19,31H,4-7,14-17H2,1-3H3,(H,29,30);3*6-11,14-15,27H,5,12-13H2,1-4H3,(H,25,26)
InChIKeyHUMAZEAYKZZKAC-UHFFFAOYSA-N
XLogP31.63
TPSA191.23 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds33
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002062.00
LogP ≤ 531.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine?
The IUPAC name of tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine (CID 158591316) is tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine?
The canonical SMILES for tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine is CC(C)(C)NCCCNc1c(-c2ccc(CN3CCCCC3)cc2)cnc2cc(Cl)ccc12.CC(C)(C)NCCCNc1c(-c2ccc(N3CCCCC3)cc2)cnc2cc(Cl)ccc12.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.
What is the InChIKey of tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine?
The InChIKey is HUMAZEAYKZZKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN4.C27H35ClN4.3C23H28ClN3/c1-28(2,3)32-15-7-14-30-27-24-13-12-23(29)18-26(24)31-19-25(27)22-10-8-21(9-11-22)20-33-16-5-4-6-17-33;1-27(2,3)31-15-7-14-29-26-23-13-10-21(28)18-25(23)30-19-24(26)20-8-11-22(12-9-20)32-16-5-4-6-17-32;3*1-16-6-8-17(9-7-16)20-15-26-21-14-18(24)10-11-19(21)22(20)25-12-5-13-27-23(2,3)4/h8-13,18-19,32H,4-7,14-17,20H2,1-3H3,(H,30,31);8-13,18-19,31H,4-7,14-17H2,1-3H3,(H,29,30);3*6-11,14-15,27H,5,12-13H2,1-4H3,(H,25,26).
What are the key properties of tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine?
tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine has a molecular weight of 2062.00 g/mol, XLogP of 31.63, 33 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 158591316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).