bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)

C177H183Cl7N32 — CID 159199355

IUPACbis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
SMILESCc1ccc(Cc2cc(C)nc(CCCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Nc2cc(C)nc(NCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Nc2cc(C)nc(NCCCNc3ccnc4cc(Cl)ccc34)n2)cc1
InChIInChI=1S/2C27H29ClN4.3C25H25ClN4.2C24H25ClN6/c2*1-19-7-9-21(10-8-19)17-23-16-20(2)31-27(32-23)6-4-3-5-14-29-25-13-15-30-26-18-22(28)11-12-24(25)26;3*1-17-5-7-19(8-6-17)15-21-14-18(2)29-25(30-21)4-3-12-27-23-11-13-28-24-16-20(26)9-10-22(23)24;2*1-16-4-7-19(8-5-16)30-23-14-17(2)29-24(31-23)28-12-3-11-26-21-10-13-27-22-15-18(25)6-9-20(21)22/h2*7-13,15-16,18H,3-6,14,17H2,1-2H3,(H,29,30);3*5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,27,28);2*4-10,13-15H,3,11-12H2,1-2H3,(H,26,27)(H2,28,29,30,31)
InChIKeyKPBUBNBCEAXMCR-UHFFFAOYSA-N
MW3006.81 g/mol
LogP43.12
Rot. Bonds55

About bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)

bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) (PubChem CID 159199355) has the molecular formula C177H183Cl7N32 and a molecular weight of 3006.81 g/mol. Its IUPAC name is bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine).

Molecular Properties

Compound Namebis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
PubChem CID159199355
Molecular FormulaC177H183Cl7N32
Molecular Weight3006.81 g/mol
Exact Mass3001.31
IUPAC Namebis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
SMILESCc1ccc(Cc2cc(C)nc(CCCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Nc2cc(C)nc(NCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Nc2cc(C)nc(NCCCNc3ccnc4cc(Cl)ccc34)n2)cc1
InChIInChI=1S/2C27H29ClN4.3C25H25ClN4.2C24H25ClN6/c2*1-19-7-9-21(10-8-19)17-23-16-20(2)31-27(32-23)6-4-3-5-14-29-25-13-15-30-26-18-22(28)11-12-24(25)26;3*1-17-5-7-19(8-6-17)15-21-14-18(2)29-25(30-21)4-3-12-27-23-11-13-28-24-16-20(26)9-10-22(23)24;2*1-16-4-7-19(8-5-16)30-23-14-17(2)29-24(31-23)28-12-3-11-26-21-10-13-27-22-15-18(25)6-9-20(21)22/h2*7-13,15-16,18H,3-6,14,17H2,1-2H3,(H,29,30);3*5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,27,28);2*4-10,13-15H,3,11-12H2,1-2H3,(H,26,27)(H2,28,29,30,31)
InChIKeyKPBUBNBCEAXMCR-UHFFFAOYSA-N
XLogP43.12
TPSA403.02 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds55
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003006.81
LogP ≤ 543.12
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) 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

7-chloro-N-[5-[4-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-yl]pentyl]quinolin-4-amine
CID 148561208
5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]amino]pentan-1-ol
CID 71735482
7-chloro-N-[5-[2-(hexylamino)-6-methylpyrimidin-4-yl]pentyl]quinolin-4-amine
CID 162259942
[4-[[2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]-6-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 155807481
7-chloro-N-[3-[4-[(3,5-dimethoxyphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine
CID 158372709
2-N-butyl-4-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]pyrimidine-2,4-diamine
CID 163709350
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]pyrimidin-2-yl]amino]butan-1-ol
CID 127048435
2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 163858785
4-N-(4-chlorophenyl)-2-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922682
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100778803
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine
CID 70691269

Frequently Asked Questions

What is the IUPAC name of bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
The IUPAC name of bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) (CID 159199355) is bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine).
What is the SMILES notation for bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
The canonical SMILES for bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) is Cc1ccc(Cc2cc(C)nc(CCCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2cc(C)nc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Nc2cc(C)nc(NCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Nc2cc(C)nc(NCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.
What is the InChIKey of bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
The InChIKey is KPBUBNBCEAXMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H29ClN4.3C25H25ClN4.2C24H25ClN6/c2*1-19-7-9-21(10-8-19)17-23-16-20(2)31-27(32-23)6-4-3-5-14-29-25-13-15-30-26-18-22(28)11-12-24(25)26;3*1-17-5-7-19(8-6-17)15-21-14-18(2)29-25(30-21)4-3-12-27-23-11-13-28-24-16-20(26)9-10-22(23)24;2*1-16-4-7-19(8-5-16)30-23-14-17(2)29-24(31-23)28-12-3-11-26-21-10-13-27-22-15-18(25)6-9-20(21)22/h2*7-13,15-16,18H,3-6,14,17H2,1-2H3,(H,29,30);3*5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,27,28);2*4-10,13-15H,3,11-12H2,1-2H3,(H,26,27)(H2,28,29,30,31).
What are the key properties of bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) has a molecular weight of 3006.81 g/mol, XLogP of 43.12, 55 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) is sourced from PubChem (CID 159199355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).