N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide

C18H20N4O — CID 648434

IUPACN-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1ccc2cc(C#N)c(NCCNC(=O)C3CC3)nc2c1C
InChIInChI=1S/C18H20N4O/c1-11-3-4-14-9-15(10-19)17(22-16(14)12(11)2)20-7-8-21-18(23)13-5-6-13/h3-4,9,13H,5-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyADYKIWQYRJDHRU-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.66
Rot. Bonds5

About N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 648434) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID648434
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1ccc2cc(C#N)c(NCCNC(=O)C3CC3)nc2c1C
InChIInChI=1S/C18H20N4O/c1-11-3-4-14-9-15(10-19)17(22-16(14)12(11)2)20-7-8-21-18(23)13-5-6-13/h3-4,9,13H,5-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyADYKIWQYRJDHRU-UHFFFAOYSA-N
XLogP2.66
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.66
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-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide (CID 648434) is N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide is Cc1ccc2cc(C#N)c(NCCNC(=O)C3CC3)nc2c1C.
What is the InChIKey of N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is ADYKIWQYRJDHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11-3-4-14-9-15(10-19)17(22-16(14)12(11)2)20-7-8-21-18(23)13-5-6-13/h3-4,9,13H,5-8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 308.39 g/mol, XLogP of 2.66, 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-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 648434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).