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

C30H31N5O4 — CID 42428711

IUPACN-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(-c2nc3c(C)cccc3cc2CN(Cc2ccco2)C(=O)Cn2nc(C)nc2C)c1
InChIInChI=1S/C30H31N5O4/c1-19-8-6-9-22-14-23(30(32-29(19)22)26-15-24(37-4)11-12-27(26)38-5)16-34(17-25-10-7-13-39-25)28(36)18-35-21(3)31-20(2)33-35/h6-15H,16-18H2,1-5H3
InChIKeyRANIBPBHEQKEIL-UHFFFAOYSA-N
MW525.61 g/mol
LogP5.26
Rot. Bonds9

About 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

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 (PubChem CID 42428711) has the molecular formula C30H31N5O4 and a molecular weight of 525.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID42428711
Molecular FormulaC30H31N5O4
Molecular Weight525.61 g/mol
Exact Mass525.24
IUPAC NameN-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(-c2nc3c(C)cccc3cc2CN(Cc2ccco2)C(=O)Cn2nc(C)nc2C)c1
InChIInChI=1S/C30H31N5O4/c1-19-8-6-9-22-14-23(30(32-29(19)22)26-15-24(37-4)11-12-27(26)38-5)16-34(17-25-10-7-13-39-25)28(36)18-35-21(3)31-20(2)33-35/h6-15H,16-18H2,1-5H3
InChIKeyRANIBPBHEQKEIL-UHFFFAOYSA-N
XLogP5.26
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide
CID 56858761
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 29087125
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
CID 42328264
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
5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid
CID 90279973
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
2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39402827
N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide
CID 25327123
N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121052217
N-(furan-2-ylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459061

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(OC)c(-c2nc3c(C)cccc3cc2CN(Cc2ccco2)C(=O)Cn2nc(C)nc2C)c1.
What is the InChIKey of 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?
The InChIKey is RANIBPBHEQKEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O4/c1-19-8-6-9-22-14-23(30(32-29(19)22)26-15-24(37-4)11-12-27(26)38-5)16-34(17-25-10-7-13-39-25)28(36)18-35-21(3)31-20(2)33-35/h6-15H,16-18H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 525.61 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 42428711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).