ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol

C69H96N6O4 — CID 157103053

IUPACethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol
SMILESC.CC.CC.CC.CC.CC.Cc1ccc2ccncc2c1C(C)O.Cc1ccc2cnccc2c1C(C)O.Cc1ccc2ncccc2c1C(C)O.Cc1cccc2cncc(N)c12.Cc1cnc2ccccc2c1C(C)O
InChIInChI=1S/4C12H13NO.C10H10N2.5C2H6.CH4/c1-8-3-4-10-7-13-6-5-11(10)12(8)9(2)14;1-8-3-4-10-5-6-13-7-11(10)12(8)9(2)14;1-8-5-6-11-10(4-3-7-13-11)12(8)9(2)14;1-8-7-13-11-6-4-3-5-10(11)12(8)9(2)14;1-7-3-2-4-8-5-12-6-9(11)10(7)8;5*1-2;/h4*3-7,9,14H,1-2H3;2-6H,11H2,1H3;5*1-2H3;1H4
InChIKeyAFZHNEOHXZJHQV-UHFFFAOYSA-N
MW1073.56 g/mol
LogP18.28
Rot. Bonds4

About ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol

ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol (PubChem CID 157103053) has the molecular formula C69H96N6O4 and a molecular weight of 1073.56 g/mol. Its IUPAC name is ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol.

Molecular Properties

Compound Nameethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol
PubChem CID157103053
Molecular FormulaC69H96N6O4
Molecular Weight1073.56 g/mol
Exact Mass1072.75
IUPAC Nameethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol
SMILESC.CC.CC.CC.CC.CC.Cc1ccc2ccncc2c1C(C)O.Cc1ccc2cnccc2c1C(C)O.Cc1ccc2ncccc2c1C(C)O.Cc1cccc2cncc(N)c12.Cc1cnc2ccccc2c1C(C)O
InChIInChI=1S/4C12H13NO.C10H10N2.5C2H6.CH4/c1-8-3-4-10-7-13-6-5-11(10)12(8)9(2)14;1-8-3-4-10-5-6-13-7-11(10)12(8)9(2)14;1-8-5-6-11-10(4-3-7-13-11)12(8)9(2)14;1-8-7-13-11-6-4-3-5-10(11)12(8)9(2)14;1-7-3-2-4-8-5-12-6-9(11)10(7)8;5*1-2;/h4*3-7,9,14H,1-2H3;2-6H,11H2,1H3;5*1-2H3;1H4
InChIKeyAFZHNEOHXZJHQV-UHFFFAOYSA-N
XLogP18.28
TPSA171.39 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.56
LogP ≤ 518.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

N'-[4-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-8-yl]-N-[[4-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-8-yl]methyl]decanediamide
CID 44305676
N'-[4-[[(1S,4S)-5-ethyl-2-bicyclo[2.2.2]octanyl]-hydroxymethyl]quinolin-8-yl]-N-[4-[[(1S,4R)-6-ethyl-2-bicyclo[2.2.2]octanyl]-hydroxymethyl]quinolin-8-yl]hexanediamide
CID 155569082
1-[4-(4-Fluorophenyl)-3-methyl-2,2-dioxo-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazin-6-yl]ethanol
CID 68183481
(1S,2S,4S,5R)-1-(Anthracen-9-ylmethyl)-2-((R)-hydroxy(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium chloride
CID 15344544
(S)-[(2R,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol chloride
CID 10962381
(R)-[(2S,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol chloride
CID 11203207
(R)-[(2S,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 11203208
(R)-[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 12024309
(S)-[5-ethenyl-1-[[3-[[5-ethenyl-2-[(S)-hydroxy(quinolin-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 25129577
(S)-[(2R,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol bromide
CID 50925083
(S)-[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 89848162
(S)-[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol chloride
CID 135084544

Frequently Asked Questions

What is the IUPAC name of ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol?
The IUPAC name of ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol (CID 157103053) is ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol.
What is the SMILES notation for ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol?
The canonical SMILES for ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol is C.CC.CC.CC.CC.CC.Cc1ccc2ccncc2c1C(C)O.Cc1ccc2cnccc2c1C(C)O.Cc1ccc2ncccc2c1C(C)O.Cc1cccc2cncc(N)c12.Cc1cnc2ccccc2c1C(C)O.
What is the InChIKey of ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol?
The InChIKey is AFZHNEOHXZJHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H13NO.C10H10N2.5C2H6.CH4/c1-8-3-4-10-7-13-6-5-11(10)12(8)9(2)14;1-8-3-4-10-5-6-13-7-11(10)12(8)9(2)14;1-8-5-6-11-10(4-3-7-13-11)12(8)9(2)14;1-8-7-13-11-6-4-3-5-10(11)12(8)9(2)14;1-7-3-2-4-8-5-12-6-9(11)10(7)8;5*1-2;/h4*3-7,9,14H,1-2H3;2-6H,11H2,1H3;5*1-2H3;1H4.
What are the key properties of ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol?
ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol has a molecular weight of 1073.56 g/mol, XLogP of 18.28, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;5-methylisoquinolin-4-amine;1-(6-methylisoquinolin-5-yl)ethanol;1-(7-methylisoquinolin-8-yl)ethanol;1-(3-methylquinolin-4-yl)ethanol;1-(6-methylquinolin-5-yl)ethanol is sourced from PubChem (CID 157103053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).