N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide

C30H34N2O4 — CID 56858761

IUPACN-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide
SMILESCCC(CC)C(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2nc1-c1cc(OC)ccc1OC
InChIInChI=1S/C30H34N2O4/c1-6-21(7-2)30(33)32(19-25-12-9-15-36-25)18-23-16-22-11-8-10-20(3)28(22)31-29(23)26-17-24(34-4)13-14-27(26)35-5/h8-17,21H,6-7,18-19H2,1-5H3
InChIKeyVZRNKUDHNPDHJV-UHFFFAOYSA-N
MW486.61 g/mol
LogP6.79
Rot. Bonds10

About N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide

N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide (PubChem CID 56858761) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide
PubChem CID56858761
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC NameN-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide
SMILESCCC(CC)C(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2nc1-c1cc(OC)ccc1OC
InChIInChI=1S/C30H34N2O4/c1-6-21(7-2)30(33)32(19-25-12-9-15-36-25)18-23-16-22-11-8-10-20(3)28(22)31-29(23)26-17-24(34-4)13-14-27(26)35-5/h8-17,21H,6-7,18-19H2,1-5H3
InChIKeyVZRNKUDHNPDHJV-UHFFFAOYSA-N
XLogP6.79
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42428711
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide
CID 26342096
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
CID 42328264
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 29087125
2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide
CID 42435423
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 78828421
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
CID 4099600
N-(furan-2-ylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459061
N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide
CID 25327123
ethyl 3-[(2,5-dimethoxyphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate
CID 3862055
N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 30711211

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide (CID 56858761) is N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide is CCC(CC)C(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2nc1-c1cc(OC)ccc1OC.
What is the InChIKey of N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide?
The InChIKey is VZRNKUDHNPDHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-6-21(7-2)30(33)32(19-25-12-9-15-36-25)18-23-16-22-11-8-10-20(3)28(22)31-29(23)26-17-24(34-4)13-14-27(26)35-5/h8-17,21H,6-7,18-19H2,1-5H3.
What are the key properties of N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide?
N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide has a molecular weight of 486.61 g/mol, XLogP of 6.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 56858761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).