N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide

C18H23N3O2 — CID 652221

IUPACN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCCOc1ccc2nc(NCCNC(=O)C3CC3)c(C)cc2c1
InChIInChI=1S/C18H23N3O2/c1-3-23-15-6-7-16-14(11-15)10-12(2)17(21-16)19-8-9-20-18(22)13-4-5-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJZOUEJWRIHJPQQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.88
Rot. Bonds7

About N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 652221) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID652221
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCCOc1ccc2nc(NCCNC(=O)C3CC3)c(C)cc2c1
InChIInChI=1S/C18H23N3O2/c1-3-23-15-6-7-16-14(11-15)10-12(2)17(21-16)19-8-9-20-18(22)13-4-5-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJZOUEJWRIHJPQQ-UHFFFAOYSA-N
XLogP2.88
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.88
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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Related Compounds

N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide
CID 3213315
N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3206675
N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
CID 3221729
N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3221678
N-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3,3-dimethylbutanamide
CID 44754257
N-[2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32969433
N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide
CID 647352
6-ethoxy-3-propan-2-yl-N-propylquinolin-2-amine
CID 63529698
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide
CID 7221290
6-ethoxy-2-methylquinoline-3-carboxylic acid
CID 17039997
1-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3-(4-fluorophenyl)urea
CID 43813688

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide (CID 652221) is N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide is CCOc1ccc2nc(NCCNC(=O)C3CC3)c(C)cc2c1.
What is the InChIKey of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is JZOUEJWRIHJPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-23-15-6-7-16-14(11-15)10-12(2)17(21-16)19-8-9-20-18(22)13-4-5-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 652221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).