7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol

C18H24N2O3 — CID 23604749

IUPAC7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol
SMILESCC(C)OCc1cc(CN2CCOCC2)c(O)c2ncccc12
InChIInChI=1S/C18H24N2O3/c1-13(2)23-12-15-10-14(11-20-6-8-22-9-7-20)18(21)17-16(15)4-3-5-19-17/h3-5,10,13,21H,6-9,11-12H2,1-2H3
InChIKeyPKPPALNALZQQFY-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.70
Rot. Bonds5

About 7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol

7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol (PubChem CID 23604749) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol.

Molecular Properties

Compound Name7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol
PubChem CID23604749
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol
SMILESCC(C)OCc1cc(CN2CCOCC2)c(O)c2ncccc12
InChIInChI=1S/C18H24N2O3/c1-13(2)23-12-15-10-14(11-20-6-8-22-9-7-20)18(21)17-16(15)4-3-5-19-17/h3-5,10,13,21H,6-9,11-12H2,1-2H3
InChIKeyPKPPALNALZQQFY-UHFFFAOYSA-N
XLogP2.70
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol
CID 171541795
5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23604739
5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
CID 3470863
5-methyl-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23765907
ethyl 4-[[7-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-8-hydroxyquinolin-5-yl]methyl]piperazine-1-carboxylate
CID 3471245
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
CID 18830094
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000
[5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate
CID 5119422
16-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]-1-oxa-7,10,13-trithia-4,16-diazacyclooctadecan-5-one
CID 11103280
ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol
CID 171541796
2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol
CID 3338042

Frequently Asked Questions

What is the IUPAC name of 7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol?
The IUPAC name of 7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol (CID 23604749) is 7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol.
What is the SMILES notation for 7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol?
The canonical SMILES for 7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol is CC(C)OCc1cc(CN2CCOCC2)c(O)c2ncccc12.
What is the InChIKey of 7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol?
The InChIKey is PKPPALNALZQQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)23-12-15-10-14(11-20-6-8-22-9-7-20)18(21)17-16(15)4-3-5-19-17/h3-5,10,13,21H,6-9,11-12H2,1-2H3.
What are the key properties of 7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol?
7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol has a molecular weight of 316.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol is sourced from PubChem (CID 23604749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).