2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide

C25H34N4O2 — CID 10127096

IUPAC2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide
SMILESNCCN(CCO)c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C25H34N4O2/c26-6-7-29(8-9-30)23-5-4-20-21(27-23)2-1-3-22(20)28-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,30H,6-16,26H2,(H,28,31)
InChIKeyQULFKNATRINTRO-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.54
Rot. Bonds8

About 2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide

2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide (PubChem CID 10127096) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide
PubChem CID10127096
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide
SMILESNCCN(CCO)c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C25H34N4O2/c26-6-7-29(8-9-30)23-5-4-20-21(27-23)2-1-3-22(20)28-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,30H,6-16,26H2,(H,28,31)
InChIKeyQULFKNATRINTRO-UHFFFAOYSA-N
XLogP3.54
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-adamantyl)-N-[2-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethylamino]quinolin-5-yl]acetamide
CID 10128120
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CID 69065439
2-(1-adamantyl)-N-[2-[3-(2-ethylbutylamino)propylamino]quinolin-5-yl]acetamide
CID 69071942
2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide
CID 10288775
2-(1-adamantyl)-N-[2-[3-(furan-2-ylmethylamino)propylamino]quinolin-5-yl]acetamide
CID 69065834
2-(1-adamantyl)-N-[2-[3-(2-methylpentylamino)propylamino]quinolin-5-yl]acetamide
CID 71034487
2-(1-adamantyl)-N-[6-chloro-2-[methyl-[3-(methylamino)propyl]amino]quinolin-5-yl]acetamide
CID 10152213
2-(1-adamantyl)-N-[2-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propylamino]quinolin-5-yl]acetamide
CID 69071957
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
2-(1-adamantyl)-N-[2-[[1-(3-hydroxyphenyl)-3,4-dimethylpentan-3-yl]amino]quinolin-5-yl]acetamide
CID 69071967
2-(1-adamantyl)-N-[2-[[(3S,4R,6R)-4-(hydroxymethyl)-5-tricyclo[4.2.0.01,3]octanyl]amino]quinolin-4-yl]acetamide
CID 71040056
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
CID 2741131

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide (CID 10127096) is 2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide is NCCN(CCO)c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide?
The InChIKey is QULFKNATRINTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c26-6-7-29(8-9-30)23-5-4-20-21(27-23)2-1-3-22(20)28-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,30H,6-16,26H2,(H,28,31).
What are the key properties of 2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide?
2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide is sourced from PubChem (CID 10127096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).