N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

C27H28N2O2 — CID 21047479

IUPACN-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc2cc(NC(=O)c3ccc(Cc4c(C)c(C)c(C)c(C)c4C)o3)ccc2n1
InChIInChI=1S/C27H28N2O2/c1-15-7-8-21-13-22(9-11-25(21)28-15)29-27(30)26-12-10-23(31-26)14-24-19(5)17(3)16(2)18(4)20(24)6/h7-13H,14H2,1-6H3,(H,29,30)
InChIKeyUFTVKMFGYLOKPX-UHFFFAOYSA-N
MW412.53 g/mol
LogP6.52
Rot. Bonds4

About N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21047479) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
PubChem CID21047479
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc2cc(NC(=O)c3ccc(Cc4c(C)c(C)c(C)c(C)c4C)o3)ccc2n1
InChIInChI=1S/C27H28N2O2/c1-15-7-8-21-13-22(9-11-25(21)28-15)29-27(30)26-12-10-23(31-26)14-24-19(5)17(3)16(2)18(4)20(24)6/h7-13H,14H2,1-6H3,(H,29,30)
InChIKeyUFTVKMFGYLOKPX-UHFFFAOYSA-N
XLogP6.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047673
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047933
N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21048003
5-(3,5-dichlorophenoxy)-N-(2-methylquinolin-6-yl)furan-2-carboxamide
CID 2814405
N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21048235
N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047425
ethyl 2-[[5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 21046384
2-hydroxy-2-methyl-N-(2-methylquinolin-6-yl)propanamide
CID 139918789
4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid
CID 90833428
5-[(2,3,4,5,6-pentamethylphenyl)methyl]-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 21045903
N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047779
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047850

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (CID 21047479) is N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is Cc1ccc2cc(NC(=O)c3ccc(Cc4c(C)c(C)c(C)c(C)c4C)o3)ccc2n1.
What is the InChIKey of N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The InChIKey is UFTVKMFGYLOKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-15-7-8-21-13-22(9-11-25(21)28-15)29-27(30)26-12-10-23(31-26)14-24-19(5)17(3)16(2)18(4)20(24)6/h7-13H,14H2,1-6H3,(H,29,30).
What are the key properties of N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).