1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine

C15H21N3O — CID 53341189

IUPAC1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine
SMILES[2H]c1c(OC([2H])([2H])[2H])cc(NC([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N)c2ncccc12
InChIInChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/i1D3,2D3,3D2,5D2,7D2,9D,11D
InChIKeyINDBQLZJXZLFIT-DEDDRVJCSA-N
MW273.44 g/mol
LogP2.78
Rot. Bonds8

About 1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine

1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine (PubChem CID 53341189) has the molecular formula C15H21N3O and a molecular weight of 273.44 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine
PubChem CID53341189
Molecular FormulaC15H21N3O
Molecular Weight273.44 g/mol
Exact Mass273.26
IUPAC Name1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine
SMILES[2H]c1c(OC([2H])([2H])[2H])cc(NC([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N)c2ncccc12
InChIInChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/i1D3,2D3,3D2,5D2,7D2,9D,11D
InChIKeyINDBQLZJXZLFIT-DEDDRVJCSA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 53339414
1,1,4-trideuterio-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 53340987
N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
5-bromo-4-[(6-methoxyquinolin-8-yl)amino]pentanoic acid
CID 169451908
2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
CID 14370815
(2R)-2-amino-5-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]pentanoic acid
CID 70681420
N-methoxyquinolin-8-amine
CID 143696561
N,N'-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]oxamide;dihydrochloride
CID 90664753
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016
(4S)-1-N-acridin-9-yl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 39070210
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748
N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide
CID 171352046

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine?
The IUPAC name of 1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine (CID 53341189) is 1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine.
What is the SMILES notation for 1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine?
The canonical SMILES for 1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine is [2H]c1c(OC([2H])([2H])[2H])cc(NC([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N)c2ncccc12.
What is the InChIKey of 1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine?
The InChIKey is INDBQLZJXZLFIT-DEDDRVJCSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/i1D3,2D3,3D2,5D2,7D2,9D,11D.
What are the key properties of 1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine?
1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine has a molecular weight of 273.44 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,5,5,5-decadeuterio-4-N-[5-deuterio-6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine is sourced from PubChem (CID 53341189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).