N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

C20H21ClN2O3 — CID 3216916

IUPACN-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccco1
InChIInChI=1S/C20H21ClN2O3/c1-13-9-14(2)16-11-15(19(21)22-17(16)10-13)12-23(6-8-25-3)20(24)18-5-4-7-26-18/h4-5,7,9-11H,6,8,12H2,1-3H3
InChIKeyMBNCPSVCEKWGTN-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.39
Rot. Bonds6

About N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 3216916) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID3216916
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccco1
InChIInChI=1S/C20H21ClN2O3/c1-13-9-14(2)16-11-15(19(21)22-17(16)10-13)12-23(6-8-25-3)20(24)18-5-4-7-26-18/h4-5,7,9-11H,6,8,12H2,1-3H3
InChIKeyMBNCPSVCEKWGTN-UHFFFAOYSA-N
XLogP4.39
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 3216916) is N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccco1.
What is the InChIKey of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is MBNCPSVCEKWGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13-9-14(2)16-11-15(19(21)22-17(16)10-13)12-23(6-8-25-3)20(24)18-5-4-7-26-18/h4-5,7,9-11H,6,8,12H2,1-3H3.
What are the key properties of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 3216916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).