N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine

C25H42N4O2 — CID 5145448

IUPACN'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)CCN(CCN(CC)CC)c1cc(OC)c2nc(C)cc(C)c2c1OC
InChIInChI=1S/C25H42N4O2/c1-9-27(10-2)13-15-29(16-14-28(11-3)12-4)21-18-22(30-7)24-23(25(21)31-8)19(5)17-20(6)26-24/h17-18H,9-16H2,1-8H3
InChIKeyPIDBXRMNGDUYRU-UHFFFAOYSA-N
MW430.64 g/mol
LogP4.36
Rot. Bonds13

About N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine

N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine (PubChem CID 5145448) has the molecular formula C25H42N4O2 and a molecular weight of 430.64 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine
PubChem CID5145448
Molecular FormulaC25H42N4O2
Molecular Weight430.64 g/mol
Exact Mass430.33
IUPAC NameN'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)CCN(CCN(CC)CC)c1cc(OC)c2nc(C)cc(C)c2c1OC
InChIInChI=1S/C25H42N4O2/c1-9-27(10-2)13-15-29(16-14-28(11-3)12-4)21-18-22(30-7)24-23(25(21)31-8)19(5)17-20(6)26-24/h17-18H,9-16H2,1-8H3
InChIKeyPIDBXRMNGDUYRU-UHFFFAOYSA-N
XLogP4.36
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine with MolForge

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Related Compounds

4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 3069064
5,6-dimethoxy-2,4-dimethylquinolin-8-amine
CID 612479
N,N-diethyl-2,5-dimethoxy-4-methylaniline
CID 59791351
N-[2-(diethylamino)ethyl]-3,4,5-trimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41346475
N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 7511971
8-methoxy-2,5-dimethylquinolin-4-amine
CID 62202032
N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride
CID 12618413
8-methoxy-2,4-dimethylquinoline-5-carboxamide
CID 82573973
N-(2-ethoxyethyl)-8-methoxy-N,2-dimethylquinolin-4-amine
CID 133445379
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 41346709
N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 43961075
N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 7511987

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine (CID 5145448) is N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine is CCN(CC)CCN(CCN(CC)CC)c1cc(OC)c2nc(C)cc(C)c2c1OC.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine?
The InChIKey is PIDBXRMNGDUYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O2/c1-9-27(10-2)13-15-29(16-14-28(11-3)12-4)21-18-22(30-7)24-23(25(21)31-8)19(5)17-20(6)26-24/h17-18H,9-16H2,1-8H3.
What are the key properties of N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine?
N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine has a molecular weight of 430.64 g/mol, XLogP of 4.36, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-N'-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 5145448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).