5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide

C21H14Cl2N2O3 — CID 2814405

IUPAC5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide
SMILESCc1ccc2cc(NC(=O)c3ccc(Oc4cc(Cl)cc(Cl)c4)o3)ccc2n1
InChIInChI=1S/C21H14Cl2N2O3/c1-12-2-3-13-8-16(4-5-18(13)24-12)25-21(26)19-6-7-20(28-19)27-17-10-14(22)9-15(23)11-17/h2-11H,1H3,(H,25,26)
InChIKeyPRPOEMCWBFFAGF-UHFFFAOYSA-N
MW413.26 g/mol
LogP6.49
Rot. Bonds4

About 5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide

5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide (PubChem CID 2814405) has the molecular formula C21H14Cl2N2O3 and a molecular weight of 413.26 g/mol. Its IUPAC name is 5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide
PubChem CID2814405
Molecular FormulaC21H14Cl2N2O3
Molecular Weight413.26 g/mol
Exact Mass412.04
IUPAC Name5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide
SMILESCc1ccc2cc(NC(=O)c3ccc(Oc4cc(Cl)cc(Cl)c4)o3)ccc2n1
InChIInChI=1S/C21H14Cl2N2O3/c1-12-2-3-13-8-16(4-5-18(13)24-12)25-21(26)19-6-7-20(28-19)27-17-10-14(22)9-15(23)11-17/h2-11H,1H3,(H,25,26)
InChIKeyPRPOEMCWBFFAGF-UHFFFAOYSA-N
XLogP6.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047479
2-hydroxy-2-methyl-N-(2-methylquinolin-6-yl)propanamide
CID 139918789
N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-5-(3,5-dichlorophenoxy)furan-2-carboxamide
CID 18536778
N-(3,4-difluorophenyl)-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 16906986
4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid
CID 90833428
5-(4-chlorophenyl)-N-quinolin-6-ylfuran-2-carboxamide;hydrochloride
CID 24776664
5-(methylsulfamoyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 38763881
7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide
CID 20853909
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide
CID 71691402
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(2-methylquinolin-6-yl)urea
CID 23587517
6-[2-methoxyethyl(methyl)amino]-N-(2-methylquinolin-6-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258570

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide?
The IUPAC name of 5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide (CID 2814405) is 5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide?
The canonical SMILES for 5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide is Cc1ccc2cc(NC(=O)c3ccc(Oc4cc(Cl)cc(Cl)c4)o3)ccc2n1.
What is the InChIKey of 5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide?
The InChIKey is PRPOEMCWBFFAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O3/c1-12-2-3-13-8-16(4-5-18(13)24-12)25-21(26)19-6-7-20(28-19)27-17-10-14(22)9-15(23)11-17/h2-11H,1H3,(H,25,26).
What are the key properties of 5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide?
5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide has a molecular weight of 413.26 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 2814405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).