N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide

C20H24N4O2 — CID 43815559

IUPACN-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide
SMILESCCc1ccc2nc(NCCCNC(=O)C3CCCO3)c(C#N)cc2c1
InChIInChI=1S/C20H24N4O2/c1-2-14-6-7-17-15(11-14)12-16(13-21)19(24-17)22-8-4-9-23-20(25)18-5-3-10-26-18/h6-7,11-12,18H,2-5,8-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyRKVXSXAEQUFUAM-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.77
Rot. Bonds7

About N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide

N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide (PubChem CID 43815559) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide
PubChem CID43815559
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide
SMILESCCc1ccc2nc(NCCCNC(=O)C3CCCO3)c(C#N)cc2c1
InChIInChI=1S/C20H24N4O2/c1-2-14-6-7-17-15(11-14)12-16(13-21)19(24-17)22-8-4-9-23-20(25)18-5-3-10-26-18/h6-7,11-12,18H,2-5,8-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyRKVXSXAEQUFUAM-UHFFFAOYSA-N
XLogP2.77
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide (CID 43815559) is N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide is CCc1ccc2nc(NCCCNC(=O)C3CCCO3)c(C#N)cc2c1.
What is the InChIKey of N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide?
The InChIKey is RKVXSXAEQUFUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-14-6-7-17-15(11-14)12-16(13-21)19(24-17)22-8-4-9-23-20(25)18-5-3-10-26-18/h6-7,11-12,18H,2-5,8-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide?
N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 43815559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).