3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide

C23H23N3O2 — CID 59393285

IUPAC3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cccc(C(=O)NC)c3)cc2[nH]c1=O
InChIInChI=1S/C23H23N3O2/c1-4-16-11-17-8-9-19(12-20(17)26-22(16)28)23(2,14-24)13-15-6-5-7-18(10-15)21(27)25-3/h5-12H,4,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyISZCCURZDNSDRN-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.47
Rot. Bonds5

About 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide

3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide (PubChem CID 59393285) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide
PubChem CID59393285
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cccc(C(=O)NC)c3)cc2[nH]c1=O
InChIInChI=1S/C23H23N3O2/c1-4-16-11-17-8-9-19(12-20(17)26-22(16)28)23(2,14-24)13-15-6-5-7-18(10-15)21(27)25-3/h5-12H,4,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyISZCCURZDNSDRN-UHFFFAOYSA-N
XLogP3.47
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide?
The IUPAC name of 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide (CID 59393285) is 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide is CCc1cc2ccc(C(C)(C#N)Cc3cccc(C(=O)NC)c3)cc2[nH]c1=O.
What is the InChIKey of 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide?
The InChIKey is ISZCCURZDNSDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-4-16-11-17-8-9-19(12-20(17)26-22(16)28)23(2,14-24)13-15-6-5-7-18(10-15)21(27)25-3/h5-12H,4,13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide?
3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-N-methylbenzamide is sourced from PubChem (CID 59393285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).