N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine

C72H63N9 — CID 139172571

IUPACN-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
SMILESCc1c(CN(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)c(C)c(CN(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)c(C)c1CN(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1
InChIInChI=1S/C72H63N9/c1-49-64(46-79(40-58-34-28-52-16-4-10-22-67(52)73-58)41-59-35-29-53-17-5-11-23-68(53)74-59)50(2)66(48-81(44-62-38-32-56-20-8-14-26-71(56)77-62)45-63-39-33-57-21-9-15-27-72(57)78-63)51(3)65(49)47-80(42-60-36-30-54-18-6-12-24-69(54)75-60)43-61-37-31-55-19-7-13-25-70(55)76-61/h4-39H,40-48H2,1-3H3
InChIKeyFHCTUSQGSSKUSZ-UHFFFAOYSA-N
MW1054.36 g/mol
LogP15.51
Rot. Bonds18

About N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine

N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine (PubChem CID 139172571) has the molecular formula C72H63N9 and a molecular weight of 1054.36 g/mol. Its IUPAC name is N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
PubChem CID139172571
Molecular FormulaC72H63N9
Molecular Weight1054.36 g/mol
Exact Mass1053.52
IUPAC NameN-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
SMILESCc1c(CN(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)c(C)c(CN(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)c(C)c1CN(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1
InChIInChI=1S/C72H63N9/c1-49-64(46-79(40-58-34-28-52-16-4-10-22-67(52)73-58)41-59-35-29-53-17-5-11-23-68(53)74-59)50(2)66(48-81(44-62-38-32-56-20-8-14-26-71(56)77-62)45-63-39-33-57-21-9-15-27-72(57)78-63)51(3)65(49)47-80(42-60-36-30-54-18-6-12-24-69(54)75-60)43-61-37-31-55-19-7-13-25-70(55)76-61/h4-39H,40-48H2,1-3H3
InChIKeyFHCTUSQGSSKUSZ-UHFFFAOYSA-N
XLogP15.51
TPSA87.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.36
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine with MolForge

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Related Compounds

N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
CID 86023570
1,3-bis[bis(quinolin-2-ylmethyl)amino]propan-2-ol
CID 86080053
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine
CID 143852851
N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine
CID 74539424
cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
CID 139160361
N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine
CID 107488634
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
CID 134338360
2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76928803
2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol
CID 2104010

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine?
The IUPAC name of N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine (CID 139172571) is N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine?
The canonical SMILES for N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine is Cc1c(CN(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)c(C)c(CN(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)c(C)c1CN(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1.
What is the InChIKey of N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine?
The InChIKey is FHCTUSQGSSKUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H63N9/c1-49-64(46-79(40-58-34-28-52-16-4-10-22-67(52)73-58)41-59-35-29-53-17-5-11-23-68(53)74-59)50(2)66(48-81(44-62-38-32-56-20-8-14-26-71(56)77-62)45-63-39-33-57-21-9-15-27-72(57)78-63)51(3)65(49)47-80(42-60-36-30-54-18-6-12-24-69(54)75-60)43-61-37-31-55-19-7-13-25-70(55)76-61/h4-39H,40-48H2,1-3H3.
What are the key properties of N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine?
N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine has a molecular weight of 1054.36 g/mol, XLogP of 15.51, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine is sourced from PubChem (CID 139172571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).