N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide

C20H18N4O — CID 24747058

IUPACN-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide
SMILESCc1ccc2nc(NCCNC(=O)c3ccccc3)c(C#N)cc2c1
InChIInChI=1S/C20H18N4O/c1-14-7-8-18-16(11-14)12-17(13-21)19(24-18)22-9-10-23-20(25)15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyACGPONQSRUGYMT-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.26
Rot. Bonds5

About N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide

N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide (PubChem CID 24747058) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide
PubChem CID24747058
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide
SMILESCc1ccc2nc(NCCNC(=O)c3ccccc3)c(C#N)cc2c1
InChIInChI=1S/C20H18N4O/c1-14-7-8-18-16(11-14)12-17(13-21)19(24-18)22-9-10-23-20(25)15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyACGPONQSRUGYMT-UHFFFAOYSA-N
XLogP3.26
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide?
The IUPAC name of N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide (CID 24747058) is N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide is Cc1ccc2nc(NCCNC(=O)c3ccccc3)c(C#N)cc2c1.
What is the InChIKey of N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide?
The InChIKey is ACGPONQSRUGYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-7-8-18-16(11-14)12-17(13-21)19(24-18)22-9-10-23-20(25)15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide?
N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide has a molecular weight of 330.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 24747058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).