4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide

C18H23N3O2 — CID 133430578

IUPAC4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
SMILESCCc1cc(NCC2(C(N)=O)CCOCC2)c2ccccc2n1
InChIInChI=1S/C18H23N3O2/c1-2-13-11-16(14-5-3-4-6-15(14)21-13)20-12-18(17(19)22)7-9-23-10-8-18/h3-6,11H,2,7-10,12H2,1H3,(H2,19,22)(H,20,21)
InChIKeyXSYSMBNASZSDQF-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.49
Rot. Bonds5

About 4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide

4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide (PubChem CID 133430578) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
PubChem CID133430578
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
SMILESCCc1cc(NCC2(C(N)=O)CCOCC2)c2ccccc2n1
InChIInChI=1S/C18H23N3O2/c1-2-13-11-16(14-5-3-4-6-15(14)21-13)20-12-18(17(19)22)7-9-23-10-8-18/h3-6,11H,2,7-10,12H2,1H3,(H2,19,22)(H,20,21)
InChIKeyXSYSMBNASZSDQF-UHFFFAOYSA-N
XLogP2.49
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide (CID 133430578) is 4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide is CCc1cc(NCC2(C(N)=O)CCOCC2)c2ccccc2n1.
What is the InChIKey of 4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide?
The InChIKey is XSYSMBNASZSDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-13-11-16(14-5-3-4-6-15(14)21-13)20-12-18(17(19)22)7-9-23-10-8-18/h3-6,11H,2,7-10,12H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide?
4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 133430578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).