2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide

C36H34N8O2 — CID 101498940

IUPAC2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
SMILESO=C(CN(CCN(CC(=O)Nc1cccc2cccnc12)Cc1ccccn1)Cc1ccccn1)Nc1cccc2cccnc12
InChIInChI=1S/C36H34N8O2/c45-33(41-31-15-5-9-27-11-7-19-39-35(27)31)25-43(23-29-13-1-3-17-37-29)21-22-44(24-30-14-2-4-18-38-30)26-34(46)42-32-16-6-10-28-12-8-20-40-36(28)32/h1-20H,21-26H2,(H,41,45)(H,42,46)
InChIKeyWVCGUOCVBFTPPH-UHFFFAOYSA-N
MW610.72 g/mol
LogP5.15
Rot. Bonds13

About 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide

2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide (PubChem CID 101498940) has the molecular formula C36H34N8O2 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
PubChem CID101498940
Molecular FormulaC36H34N8O2
Molecular Weight610.72 g/mol
Exact Mass610.28
IUPAC Name2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
SMILESO=C(CN(CCN(CC(=O)Nc1cccc2cccnc12)Cc1ccccn1)Cc1ccccn1)Nc1cccc2cccnc12
InChIInChI=1S/C36H34N8O2/c45-33(41-31-15-5-9-27-11-7-19-39-35(27)31)25-43(23-29-13-1-3-17-37-29)21-22-44(24-30-14-2-4-18-38-30)26-34(46)42-32-16-6-10-28-12-8-20-40-36(28)32/h1-20H,21-26H2,(H,41,45)(H,42,46)
InChIKeyWVCGUOCVBFTPPH-UHFFFAOYSA-N
XLogP5.15
TPSA116.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
CID 163809657
N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
CID 155804068
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide
CID 113160554
N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
CID 108946174
N-quinolin-8-ylhex-3-enamide
CID 151663814
N-quinolin-8-ylundecanamide
CID 3567928
2-[bis[2-[carboxymethyl-[2-[2-[carboxymethyl(pyridin-2-ylmethyl)amino]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 101405847
1-ethoxycarbonyloxyethyl 2-[3-methoxy-6-[3-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]propoxy]-9H-xanthen-9-yl]benzoate
CID 102130272
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide (CID 101498940) is 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide is O=C(CN(CCN(CC(=O)Nc1cccc2cccnc12)Cc1ccccn1)Cc1ccccn1)Nc1cccc2cccnc12.
What is the InChIKey of 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide?
The InChIKey is WVCGUOCVBFTPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N8O2/c45-33(41-31-15-5-9-27-11-7-19-39-35(27)31)25-43(23-29-13-1-3-17-37-29)21-22-44(24-30-14-2-4-18-38-30)26-34(46)42-32-16-6-10-28-12-8-20-40-36(28)32/h1-20H,21-26H2,(H,41,45)(H,42,46).
What are the key properties of 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide?
2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide has a molecular weight of 610.72 g/mol, XLogP of 5.15, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 101498940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).