7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol

C21H22N2O2 — CID 66961747

IUPAC7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol
SMILESCc1ccccc1C(c1cc2ncccc2cc1O)N1CCOCC1
InChIInChI=1S/C21H22N2O2/c1-15-5-2-3-7-17(15)21(23-9-11-25-12-10-23)18-14-19-16(13-20(18)24)6-4-8-22-19/h2-8,13-14,21,24H,9-12H2,1H3
InChIKeyFADCKOVKPRPPCW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.67
Rot. Bonds3

About 7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol

7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol (PubChem CID 66961747) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol.

Molecular Properties

Compound Name7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol
PubChem CID66961747
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol
SMILESCc1ccccc1C(c1cc2ncccc2cc1O)N1CCOCC1
InChIInChI=1S/C21H22N2O2/c1-15-5-2-3-7-17(15)21(23-9-11-25-12-10-23)18-14-19-16(13-20(18)24)6-4-8-22-19/h2-8,13-14,21,24H,9-12H2,1H3
InChIKeyFADCKOVKPRPPCW-UHFFFAOYSA-N
XLogP3.67
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol?
The IUPAC name of 7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol (CID 66961747) is 7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol.
What is the SMILES notation for 7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol?
The canonical SMILES for 7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol is Cc1ccccc1C(c1cc2ncccc2cc1O)N1CCOCC1.
What is the InChIKey of 7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol?
The InChIKey is FADCKOVKPRPPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-5-2-3-7-17(15)21(23-9-11-25-12-10-23)18-14-19-16(13-20(18)24)6-4-8-22-19/h2-8,13-14,21,24H,9-12H2,1H3.
What are the key properties of 7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol?
7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol has a molecular weight of 334.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylphenyl)-morpholin-4-ylmethyl]quinolin-6-ol is sourced from PubChem (CID 66961747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).