4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol

C24H28N4O3 — CID 141467192

IUPAC4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2nnc3n2-c2ccc(CN4CCOCC4)cc2CC3)c(O)cc1O
InChIInChI=1S/C24H28N4O3/c1-15(2)18-12-19(22(30)13-21(18)29)24-26-25-23-6-4-17-11-16(3-5-20(17)28(23)24)14-27-7-9-31-10-8-27/h3,5,11-13,15,29-30H,4,6-10,14H2,1-2H3
InChIKeyZGRJWMSHMCGAQG-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.40
Rot. Bonds4

About 4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol

4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol (PubChem CID 141467192) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol
PubChem CID141467192
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2nnc3n2-c2ccc(CN4CCOCC4)cc2CC3)c(O)cc1O
InChIInChI=1S/C24H28N4O3/c1-15(2)18-12-19(22(30)13-21(18)29)24-26-25-23-6-4-17-11-16(3-5-20(17)28(23)24)14-27-7-9-31-10-8-27/h3,5,11-13,15,29-30H,4,6-10,14H2,1-2H3
InChIKeyZGRJWMSHMCGAQG-UHFFFAOYSA-N
XLogP3.40
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol with MolForge

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Related Compounds

5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 135924338
4-[5-(3-hydroxyphenyl)-4-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]-6-propan-2-ylbenzene-1,3-diol
CID 136619680
4-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-formyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]butanoic acid
CID 162740630
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide
CID 162740651
4-[4-[[4-(2-chloroethyl)piperazin-1-yl]methyl]phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2,4-triazole-3-carboxamide
CID 162740500
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-methyl-4-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 178145982
1-[[4-[3-carbamoyl-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]-N-oxopiperidine-4-carboxamide
CID 167010839
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-2-propan-2-yl-3H-1,2,4-triazole-5-carboxamide
CID 174605850
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;ethane
CID 142606046
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;molecular hydrogen
CID 167677624
4-[4-[[2-[[4-[4-[[2-[[4-[4-(diethylaminomethyl)phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethyl-ethylamino]methyl]phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-(3-morpholin-4-ylpropyl)amino]ethyl-ethylamino]methyl]phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)-1,2,4-triazole-3-carboxamide
CID 136635908
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1H-1,2,4-triazol-5-one
CID 177126538

Frequently Asked Questions

What is the IUPAC name of 4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol (CID 141467192) is 4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol is CC(C)c1cc(-c2nnc3n2-c2ccc(CN4CCOCC4)cc2CC3)c(O)cc1O.
What is the InChIKey of 4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is ZGRJWMSHMCGAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15(2)18-12-19(22(30)13-21(18)29)24-26-25-23-6-4-17-11-16(3-5-20(17)28(23)24)14-27-7-9-31-10-8-27/h3,5,11-13,15,29-30H,4,6-10,14H2,1-2H3.
What are the key properties of 4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol?
4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 420.51 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(morpholin-4-ylmethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl]-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 141467192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).