N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide

C15H16N4O — CID 3221668

IUPACN-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2cc(C)ccc2cc1C#N
InChIInChI=1S/C15H16N4O/c1-10-3-4-12-8-13(9-16)15(19-14(12)7-10)18-6-5-17-11(2)20/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyREQZFMCWMOEZOK-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.96
Rot. Bonds4

About N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide

N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide (PubChem CID 3221668) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide
PubChem CID3221668
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2cc(C)ccc2cc1C#N
InChIInChI=1S/C15H16N4O/c1-10-3-4-12-8-13(9-16)15(19-14(12)7-10)18-6-5-17-11(2)20/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyREQZFMCWMOEZOK-UHFFFAOYSA-N
XLogP1.96
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.96
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-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]-2,2,2-trifluoroacetamide
CID 3288463
N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 44754246
N-[2-[(3-cyano-7-methylquinolin-1-ium-2-yl)amino]ethyl]acetamide
CID 7434726
7-methyl-2-(methylamino)quinoline-3-carbonitrile
CID 84619502
1-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43815057
N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 78966293
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide
CID 3221711
N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3221678
methyl 2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetate
CID 654307
1-[2-[(3-cyano-6-ethylquinolin-2-yl)amino]ethyl]-3-(2,4-dimethylphenyl)thiourea
CID 43815170
(2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide
CID 7434796
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide (CID 3221668) is N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc2cc(C)ccc2cc1C#N.
What is the InChIKey of N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide?
The InChIKey is REQZFMCWMOEZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-3-4-12-8-13(9-16)15(19-14(12)7-10)18-6-5-17-11(2)20/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide?
N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide has a molecular weight of 268.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 3221668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).