N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

C20H21ClN2O3 — CID 3216949

IUPACN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(Cc1cc2cc(C)c(C)cc2nc1Cl)C(=O)c1ccco1
InChIInChI=1S/C20H21ClN2O3/c1-13-9-15-11-16(19(21)22-17(15)10-14(13)2)12-23(6-8-25-3)20(24)18-5-4-7-26-18/h4-5,7,9-11H,6,8,12H2,1-3H3
InChIKeyYIIHHRVMVPVDON-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.39
Rot. Bonds6

About N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 3216949) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID3216949
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(Cc1cc2cc(C)c(C)cc2nc1Cl)C(=O)c1ccco1
InChIInChI=1S/C20H21ClN2O3/c1-13-9-15-11-16(19(21)22-17(15)10-14(13)2)12-23(6-8-25-3)20(24)18-5-4-7-26-18/h4-5,7,9-11H,6,8,12H2,1-3H3
InChIKeyYIIHHRVMVPVDON-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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Related Compounds

N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3216916
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 1459845
N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 1439956
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 42815461
N-(2-methoxyethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
CID 3227710
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3216993
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 3216915
methyl 2-[[furan-2-carbonyl(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5039854
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide
CID 3216967
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide
CID 3219509
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 3216975
4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 46256182

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 3216949) is N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCN(Cc1cc2cc(C)c(C)cc2nc1Cl)C(=O)c1ccco1.
What is the InChIKey of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is YIIHHRVMVPVDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13-9-15-11-16(19(21)22-17(15)10-14(13)2)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-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
N-[(2-chloro-6,7-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-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 3216949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).