2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol

C26H29N5O4 — CID 135178168

IUPAC2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol
SMILESCc1cc(-n2cc(-c3ccc4ccc(OCCOCCN5CCOCC5)cc4n3)nn2)ccc1O
InChIInChI=1S/C26H29N5O4/c1-19-16-21(4-7-26(19)32)31-18-25(28-29-31)23-6-3-20-2-5-22(17-24(20)27-23)35-15-14-34-13-10-30-8-11-33-12-9-30/h2-7,16-18,32H,8-15H2,1H3
InChIKeyNDURGHXPOQSNMX-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.22
Rot. Bonds9

About 2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol

2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol (PubChem CID 135178168) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol
PubChem CID135178168
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol
SMILESCc1cc(-n2cc(-c3ccc4ccc(OCCOCCN5CCOCC5)cc4n3)nn2)ccc1O
InChIInChI=1S/C26H29N5O4/c1-19-16-21(4-7-26(19)32)31-18-25(28-29-31)23-6-3-20-2-5-22(17-24(20)27-23)35-15-14-34-13-10-30-8-11-33-12-9-30/h2-7,16-18,32H,8-15H2,1H3
InChIKeyNDURGHXPOQSNMX-UHFFFAOYSA-N
XLogP3.22
TPSA94.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(2-methylquinolin-7-yl)oxyethoxy]ethyl]morpholine
CID 145139266
4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine
CID 155092095
ethane;3-[6-(2-morpholin-4-ylethoxy)quinolin-2-yl]-1H-indol-2-ol
CID 136659087
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
4-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]morpholine
CID 30983916
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride
CID 2995859
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine
CID 24739749
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol
CID 135656441

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol?
The IUPAC name of 2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol (CID 135178168) is 2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol.
What is the SMILES notation for 2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol?
The canonical SMILES for 2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol is Cc1cc(-n2cc(-c3ccc4ccc(OCCOCCN5CCOCC5)cc4n3)nn2)ccc1O.
What is the InChIKey of 2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol?
The InChIKey is NDURGHXPOQSNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-19-16-21(4-7-26(19)32)31-18-25(28-29-31)23-6-3-20-2-5-22(17-24(20)27-23)35-15-14-34-13-10-30-8-11-33-12-9-30/h2-7,16-18,32H,8-15H2,1H3.
What are the key properties of 2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol?
2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol has a molecular weight of 475.55 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol is sourced from PubChem (CID 135178168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).