[5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate

C22H22N2O3 — CID 5119422

IUPAC[5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(CN3CCOCC3)c3cccnc23)cc1
InChIInChI=1S/C22H22N2O3/c1-16-4-6-17(7-5-16)22(25)27-20-9-8-18(15-24-11-13-26-14-12-24)19-3-2-10-23-21(19)20/h2-10H,11-15H2,1H3
InChIKeyKZRIKQFLKWNAHV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.59
Rot. Bonds4

About [5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate

[5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate (PubChem CID 5119422) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate.

Molecular Properties

Compound Name[5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate
PubChem CID5119422
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(CN3CCOCC3)c3cccnc23)cc1
InChIInChI=1S/C22H22N2O3/c1-16-4-6-17(7-5-16)22(25)27-20-9-8-18(15-24-11-13-26-14-12-24)19-3-2-10-23-21(19)20/h2-10H,11-15H2,1H3
InChIKeyKZRIKQFLKWNAHV-UHFFFAOYSA-N
XLogP3.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate with MolForge

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

Launch Full Analysis

Related Compounds

6-[5-(morpholin-4-ylmethyl)quinolin-8-yl]oxypyrazine-2-carboxamide
CID 56714306
8-methoxy-5-(piperidin-1-ylmethyl)quinoline
CID 135293876
4-[[2-(8-methoxyquinolin-5-yl)phenyl]methyl]morpholine
CID 72915247
7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol
CID 23604749
4-[[5-(1,3-dihydroisoindol-2-ylmethyl)quinolin-8-yl]oxymethyl]-N,N-dimethylbenzamide
CID 168879290
1-(8-methoxyquinolin-5-yl)-2-morpholin-4-ylethanone
CID 93193171
[5-[(4-prop-2-ynylpiperidin-1-yl)methyl]quinolin-8-yl] N,N-dimethylcarbamate
CID 46843060
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol
CID 171541795
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
(2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate
CID 9045977
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592

Frequently Asked Questions

What is the IUPAC name of [5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate?
The IUPAC name of [5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate (CID 5119422) is [5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate.
What is the SMILES notation for [5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate?
The canonical SMILES for [5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccc(CN3CCOCC3)c3cccnc23)cc1.
What is the InChIKey of [5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate?
The InChIKey is KZRIKQFLKWNAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16-4-6-17(7-5-16)22(25)27-20-9-8-18(15-24-11-13-26-14-12-24)19-3-2-10-23-21(19)20/h2-10H,11-15H2,1H3.
What are the key properties of [5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate?
[5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate has a molecular weight of 362.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate is sourced from PubChem (CID 5119422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).