N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide

C22H22N4O2 — CID 24747099

IUPACN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
InChIInChI=1S/C22H22N4O2/c1-14-10-15(2)18-12-16(13-23)21(26-19(18)11-14)24-8-9-25-22(27)17-6-4-5-7-20(17)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyOYHKISDREVFLDF-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.57
Rot. Bonds6

About N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide

N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide (PubChem CID 24747099) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide
PubChem CID24747099
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
InChIInChI=1S/C22H22N4O2/c1-14-10-15(2)18-12-16(13-23)21(26-19(18)11-14)24-8-9-25-22(27)17-6-4-5-7-20(17)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyOYHKISDREVFLDF-UHFFFAOYSA-N
XLogP3.57
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ssr161421
CID 10201497
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
CID 15987793
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-oxochromene-2-carboxamide
CID 44403736
N-(2-((3-Cyano-8-methylquinolin-2-yl)amino)ethyl)-3,4-dimethoxybenzamide
CID 3217019
N-(2-((3-Cyano-6-methylquinolin-2-yl)amino)ethyl)-3,4-dimethoxybenzamide
CID 3217032
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide
CID 3224090
5-Chloro-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-2-methoxy-benzamide
CID 15987638
2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 16002260
3-(4-Methoxy-phenyl)-N-[4-methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-propionamide
CID 22422406
2-[4-(2-Methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile
CID 46904956
1-(4-methoxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67284820
N-(4-(3-(2-aminoethylcarbamoyl)phenyl)-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl)-2-methoxybenzamide
CID 136016392

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide (CID 24747099) is N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N.
What is the InChIKey of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide?
The InChIKey is OYHKISDREVFLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-10-15(2)18-12-16(13-23)21(26-19(18)11-14)24-8-9-25-22(27)17-6-4-5-7-20(17)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide?
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide has a molecular weight of 374.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 24747099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).