N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine

C28H28N6 — CID 74539424

IUPACN-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine
SMILESCN(Cc1cnc(CN(C)Cc2ccc3ccccc3n2)cn1)Cc1ccc2ccccc2n1
InChIInChI=1S/C28H28N6/c1-33(17-23-13-11-21-7-3-5-9-27(21)31-23)19-25-15-30-26(16-29-25)20-34(2)18-24-14-12-22-8-4-6-10-28(22)32-24/h3-16H,17-20H2,1-2H3
InChIKeyZQDBEJUXMRLRQT-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.84
Rot. Bonds8

About N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine

N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine (PubChem CID 74539424) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine
PubChem CID74539424
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC NameN-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine
SMILESCN(Cc1cnc(CN(C)Cc2ccc3ccccc3n2)cn1)Cc1ccc2ccccc2n1
InChIInChI=1S/C28H28N6/c1-33(17-23-13-11-21-7-3-5-9-27(21)31-23)19-25-15-30-26(16-29-25)20-34(2)18-24-14-12-22-8-4-6-10-28(22)32-24/h3-16H,17-20H2,1-2H3
InChIKeyZQDBEJUXMRLRQT-UHFFFAOYSA-N
XLogP4.84
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine with MolForge

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Related Compounds

N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
2-methyl-1-[methyl(quinolin-2-ylmethyl)amino]propan-2-ol
CID 78995605
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
1-[[methyl(quinolin-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 115758417
S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine
CID 143852851
N'-hydroxy-3-[methyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 43209629
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
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
4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
CID 79112911
1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
CID 86023570
2-[[methyl(methylsulfanylsulfonyl)amino]methyl]quinoline
CID 163659230
N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine
CID 56707377

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine?
The IUPAC name of N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine (CID 74539424) is N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine?
The canonical SMILES for N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine is CN(Cc1cnc(CN(C)Cc2ccc3ccccc3n2)cn1)Cc1ccc2ccccc2n1.
What is the InChIKey of N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine?
The InChIKey is ZQDBEJUXMRLRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-33(17-23-13-11-21-7-3-5-9-27(21)31-23)19-25-15-30-26(16-29-25)20-34(2)18-24-14-12-22-8-4-6-10-28(22)32-24/h3-16H,17-20H2,1-2H3.
What are the key properties of N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine?
N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine has a molecular weight of 448.57 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine is sourced from PubChem (CID 74539424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).