N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide

C26H25ClN2O4 — CID 1439956

IUPACN-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)c3ccco3)cc2c1
InChIInChI=1S/C26H25ClN2O4/c1-4-17-7-9-21-19(12-17)14-20(25(27)28-21)16-29(26(30)23-6-5-11-33-23)15-18-8-10-22(31-2)24(13-18)32-3/h5-14H,4,15-16H2,1-3H3
InChIKeyVEWFVWVCSVMRJR-UHFFFAOYSA-N
MW464.95 g/mol
LogP5.90
Rot. Bonds8

About N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide

N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 1439956) has the molecular formula C26H25ClN2O4 and a molecular weight of 464.95 g/mol. Its IUPAC name is N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID1439956
Molecular FormulaC26H25ClN2O4
Molecular Weight464.95 g/mol
Exact Mass464.15
IUPAC NameN-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)c3ccco3)cc2c1
InChIInChI=1S/C26H25ClN2O4/c1-4-17-7-9-21-19(12-17)14-20(25(27)28-21)16-29(26(30)23-6-5-11-33-23)15-18-8-10-22(31-2)24(13-18)32-3/h5-14H,4,15-16H2,1-3H3
InChIKeyVEWFVWVCSVMRJR-UHFFFAOYSA-N
XLogP5.90
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.95
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide (CID 1439956) is N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide is CCc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)c3ccco3)cc2c1.
What is the InChIKey of N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is VEWFVWVCSVMRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4/c1-4-17-7-9-21-19(12-17)14-20(25(27)28-21)16-29(26(30)23-6-5-11-33-23)15-18-8-10-22(31-2)24(13-18)32-3/h5-14H,4,15-16H2,1-3H3.
What are the key properties of N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide?
N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 464.95 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1439956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).