N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide

C26H26N2O3S — CID 25327123

IUPACN-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide
SMILESCCC(=O)N(Cc1ccco1)Cc1cc2ccc(SC)cc2nc1-c1cccc(OC)c1
InChIInChI=1S/C26H26N2O3S/c1-4-25(29)28(17-22-9-6-12-31-22)16-20-13-18-10-11-23(32-3)15-24(18)27-26(20)19-7-5-8-21(14-19)30-2/h5-15H,4,16-17H2,1-3H3
InChIKeyWJCJNEOPHPDFDI-UHFFFAOYSA-N
MW446.57 g/mol
LogP6.16
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide

N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide (PubChem CID 25327123) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide
PubChem CID25327123
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC NameN-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide
SMILESCCC(=O)N(Cc1ccco1)Cc1cc2ccc(SC)cc2nc1-c1cccc(OC)c1
InChIInChI=1S/C26H26N2O3S/c1-4-25(29)28(17-22-9-6-12-31-22)16-20-13-18-10-11-23(32-3)15-24(18)27-26(20)19-7-5-8-21(14-19)30-2/h5-15H,4,16-17H2,1-3H3
InChIKeyWJCJNEOPHPDFDI-UHFFFAOYSA-N
XLogP6.16
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42430371
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42420994
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]benzamide
CID 26339886
N-[[2-(dimethylamino)-7-methylsulfanylquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 26341794
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
N-(furan-2-ylmethyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide
CID 91635493
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806406
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 78798540
N-(furan-2-ylmethyl)-N-[[2-(4-hydroxypiperidin-1-yl)-7-methylsulfanylquinolin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 45251199
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide
CID 1453682
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 18103357
N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide
CID 56858761

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide (CID 25327123) is N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide is CCC(=O)N(Cc1ccco1)Cc1cc2ccc(SC)cc2nc1-c1cccc(OC)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide?
The InChIKey is WJCJNEOPHPDFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-4-25(29)28(17-22-9-6-12-31-22)16-20-13-18-10-11-23(32-3)15-24(18)27-26(20)19-7-5-8-21(14-19)30-2/h5-15H,4,16-17H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide?
N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide has a molecular weight of 446.57 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide is sourced from PubChem (CID 25327123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).