N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide

C21H32N4O4 — CID 26357223

IUPACN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCN(C)C)C(C)=O)cc2c(OC)c1OC
InChIInChI=1S/C21H32N4O4/c1-14(26)25(10-9-23(2)3)13-15-11-16-17(22-21(15)24(4)5)12-18(27-6)20(29-8)19(16)28-7/h11-12H,9-10,13H2,1-8H3
InChIKeyFPORDGDUQVQPIM-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.24
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide

N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide (PubChem CID 26357223) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide
PubChem CID26357223
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCN(C)C)C(C)=O)cc2c(OC)c1OC
InChIInChI=1S/C21H32N4O4/c1-14(26)25(10-9-23(2)3)13-15-11-16-17(22-21(15)24(4)5)12-18(27-6)20(29-8)19(16)28-7/h11-12H,9-10,13H2,1-8H3
InChIKeyFPORDGDUQVQPIM-UHFFFAOYSA-N
XLogP2.24
TPSA67.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide (CID 26357223) is N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide is COc1cc2nc(N(C)C)c(CN(CCN(C)C)C(C)=O)cc2c(OC)c1OC.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide?
The InChIKey is FPORDGDUQVQPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-14(26)25(10-9-23(2)3)13-15-11-16-17(22-21(15)24(4)5)12-18(27-6)20(29-8)19(16)28-7/h11-12H,9-10,13H2,1-8H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide?
N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 2.24, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]acetamide is sourced from PubChem (CID 26357223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).