N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide

C25H30ClN3O4 — CID 56855963

IUPACN-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cc2ccc(Cl)cc2nc1N(C)C)C(=O)Cc1cc(OC)ccc1OC
InChIInChI=1S/C25H30ClN3O4/c1-28(2)25-19(12-17-6-7-20(26)15-22(17)27-25)16-29(10-11-31-3)24(30)14-18-13-21(32-4)8-9-23(18)33-5/h6-9,12-13,15H,10-11,14,16H2,1-5H3
InChIKeyFZMUMMIVEWVOBZ-UHFFFAOYSA-N
MW471.99 g/mol
LogP4.19
Rot. Bonds10

About N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide

N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide (PubChem CID 56855963) has the molecular formula C25H30ClN3O4 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
PubChem CID56855963
Molecular FormulaC25H30ClN3O4
Molecular Weight471.99 g/mol
Exact Mass471.19
IUPAC NameN-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cc2ccc(Cl)cc2nc1N(C)C)C(=O)Cc1cc(OC)ccc1OC
InChIInChI=1S/C25H30ClN3O4/c1-28(2)25-19(12-17-6-7-20(26)15-22(17)27-25)16-29(10-11-31-3)24(30)14-18-13-21(32-4)8-9-23(18)33-5/h6-9,12-13,15H,10-11,14,16H2,1-5H3
InChIKeyFZMUMMIVEWVOBZ-UHFFFAOYSA-N
XLogP4.19
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 26274431
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide
CID 29084490
1-(4-chlorophenyl)-N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 26326793
N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 42370856
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 126464206
N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74787202
2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8529237
N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 46099599
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide
CID 3216967
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 3216975
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742

Frequently Asked Questions

What is the IUPAC name of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide (CID 56855963) is N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide is COCCN(Cc1cc2ccc(Cl)cc2nc1N(C)C)C(=O)Cc1cc(OC)ccc1OC.
What is the InChIKey of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is FZMUMMIVEWVOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O4/c1-28(2)25-19(12-17-6-7-20(26)15-22(17)27-25)16-29(10-11-31-3)24(30)14-18-13-21(32-4)8-9-23(18)33-5/h6-9,12-13,15H,10-11,14,16H2,1-5H3.
What are the key properties of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide?
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 471.99 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 56855963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).