N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide

C28H35N3O5 — CID 45204109

IUPACN-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2N(C)C)CC2CCCO2)c(OC)c1OC
InChIInChI=1S/C28H35N3O5/c1-18-9-7-10-19-15-20(27(30(2)3)29-24(18)19)16-31(17-21-11-8-14-36-21)28(32)22-12-13-23(33-4)26(35-6)25(22)34-5/h7,9-10,12-13,15,21H,8,11,14,16-17H2,1-6H3
InChIKeyLUYZNAUSPJMDNZ-UHFFFAOYSA-N
MW493.60 g/mol
LogP4.46
Rot. Bonds9

About N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide

N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 45204109) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID45204109
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC NameN-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2N(C)C)CC2CCCO2)c(OC)c1OC
InChIInChI=1S/C28H35N3O5/c1-18-9-7-10-19-15-20(27(30(2)3)29-24(18)19)16-31(17-21-11-8-14-36-21)28(32)22-12-13-23(33-4)26(35-6)25(22)34-5/h7,9-10,12-13,15,21H,8,11,14,16-17H2,1-6H3
InChIKeyLUYZNAUSPJMDNZ-UHFFFAOYSA-N
XLogP4.46
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26352971
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 26397869
N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 45226958
(E)-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 45237611
N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1433078
N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 29086533
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55969027
2,3-dimethoxy-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125173420
5-amino-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120623170
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 45244682

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide (CID 45204109) is N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2N(C)C)CC2CCCO2)c(OC)c1OC.
What is the InChIKey of N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LUYZNAUSPJMDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-18-9-7-10-19-15-20(27(30(2)3)29-24(18)19)16-31(17-21-11-8-14-36-21)28(32)22-12-13-23(33-4)26(35-6)25(22)34-5/h7,9-10,12-13,15,21H,8,11,14,16-17H2,1-6H3.
What are the key properties of N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide?
N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 493.60 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 45204109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).