N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine

C79H73Cl7N16 — CID 160577871

IUPACN,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN(CCNc1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12)CCN(CCNc1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12.CN(CCNc1ccnc2cc(Cl)ccc12)CCN(CCNc1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C45H41Cl4N9.C34H32Cl3N7/c1-56(22-24-57(44-12-16-52-42-28-32(48)4-8-36(42)44)20-18-54-38-10-14-50-40-26-30(46)2-6-34(38)40)23-25-58(45-13-17-53-43-29-33(49)5-9-37(43)45)21-19-55-39-11-15-51-41-27-31(47)3-7-35(39)41;1-43(16-14-41-29-8-11-38-31-20-23(35)2-5-26(29)31)18-19-44(34-10-13-40-33-22-25(37)4-7-28(33)34)17-15-42-30-9-12-39-32-21-24(36)3-6-27(30)32/h2-17,26-29H,18-25H2,1H3,(H,50,54)(H,51,55);2-13,20-22H,14-19H2,1H3,(H,38,41)(H,39,42)
InChIKeyRBJSPUIGLGBRAJ-UHFFFAOYSA-N
MW1494.74 g/mol
LogP19.22
Rot. Bonds28

About N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine

N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine (PubChem CID 160577871) has the molecular formula C79H73Cl7N16 and a molecular weight of 1494.74 g/mol. Its IUPAC name is N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine
PubChem CID160577871
Molecular FormulaC79H73Cl7N16
Molecular Weight1494.74 g/mol
Exact Mass1490.40
IUPAC NameN,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN(CCNc1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12)CCN(CCNc1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12.CN(CCNc1ccnc2cc(Cl)ccc12)CCN(CCNc1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C45H41Cl4N9.C34H32Cl3N7/c1-56(22-24-57(44-12-16-52-42-28-32(48)4-8-36(42)44)20-18-54-38-10-14-50-40-26-30(46)2-6-34(38)40)23-25-58(45-13-17-53-43-29-33(49)5-9-37(43)45)21-19-55-39-11-15-51-41-27-31(47)3-7-35(39)41;1-43(16-14-41-29-8-11-38-31-20-23(35)2-5-26(29)31)18-19-44(34-10-13-40-33-22-25(37)4-7-28(33)34)17-15-42-30-9-12-39-32-21-24(36)3-6-27(30)32/h2-17,26-29H,18-25H2,1H3,(H,50,54)(H,51,55);2-13,20-22H,14-19H2,1H3,(H,38,41)(H,39,42)
InChIKeyRBJSPUIGLGBRAJ-UHFFFAOYSA-N
XLogP19.22
TPSA154.55 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001494.74
LogP ≤ 519.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
(2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol
CID 71470224
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine
CID 58476704
N-butyl-7-chloroquinolin-4-amine
CID 10037042
CID 11847300
CID 11847300
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
2-[4-[[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethylamino]methyl]triazol-1-yl]acetic acid
CID 118735256
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
CID 91884589
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 71588239
N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine
CID 101126572

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine (CID 160577871) is N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine is CN(CCN(CCNc1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12)CCN(CCNc1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12.CN(CCNc1ccnc2cc(Cl)ccc12)CCN(CCNc1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is RBJSPUIGLGBRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H41Cl4N9.C34H32Cl3N7/c1-56(22-24-57(44-12-16-52-42-28-32(48)4-8-36(42)44)20-18-54-38-10-14-50-40-26-30(46)2-6-34(38)40)23-25-58(45-13-17-53-43-29-33(49)5-9-37(43)45)21-19-55-39-11-15-51-41-27-31(47)3-7-35(39)41;1-43(16-14-41-29-8-11-38-31-20-23(35)2-5-26(29)31)18-19-44(34-10-13-40-33-22-25(37)4-7-28(33)34)17-15-42-30-9-12-39-32-21-24(36)3-6-27(30)32/h2-17,26-29H,18-25H2,1H3,(H,50,54)(H,51,55);2-13,20-22H,14-19H2,1H3,(H,38,41)(H,39,42).
What are the key properties of N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine?
N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 1494.74 g/mol, XLogP of 19.22, 28 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 160577871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).