N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide

C15H16N4O — CID 81427738

IUPACN-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide
SMILESN#CCCNC(=O)CNCc1cccc2cccnc12
InChIInChI=1S/C15H16N4O/c16-7-3-9-18-14(20)11-17-10-13-5-1-4-12-6-2-8-19-15(12)13/h1-2,4-6,8,17H,3,9-11H2,(H,18,20)
InChIKeyMZPJXZLJMFWRDT-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.35
Rot. Bonds6

About N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide

N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide (PubChem CID 81427738) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide
PubChem CID81427738
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide
SMILESN#CCCNC(=O)CNCc1cccc2cccnc12
InChIInChI=1S/C15H16N4O/c16-7-3-9-18-14(20)11-17-10-13-5-1-4-12-6-2-8-19-15(12)13/h1-2,4-6,8,17H,3,9-11H2,(H,18,20)
InChIKeyMZPJXZLJMFWRDT-UHFFFAOYSA-N
XLogP1.35
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427388
N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
CID 60972076
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide (CID 81427738) is N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide is N#CCCNC(=O)CNCc1cccc2cccnc12.
What is the InChIKey of N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide?
The InChIKey is MZPJXZLJMFWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-7-3-9-18-14(20)11-17-10-13-5-1-4-12-6-2-8-19-15(12)13/h1-2,4-6,8,17H,3,9-11H2,(H,18,20).
What are the key properties of N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide?
N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide has a molecular weight of 268.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide is sourced from PubChem (CID 81427738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).