7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol

C21H22N2O3 — CID 3937063

IUPAC7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol
SMILESCOc1ccc(C(c2ccc3cccnc3c2O)N2CCOCC2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-17-7-4-16(5-8-17)20(23-11-13-26-14-12-23)18-9-6-15-3-2-10-22-19(15)21(18)24/h2-10,20,24H,11-14H2,1H3
InChIKeySBZQPOWZGHEGPU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.37
Rot. Bonds4

About 7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol

7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol (PubChem CID 3937063) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol
PubChem CID3937063
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol
SMILESCOc1ccc(C(c2ccc3cccnc3c2O)N2CCOCC2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-17-7-4-16(5-8-17)20(23-11-13-26-14-12-23)18-9-6-15-3-2-10-22-19(15)21(18)24/h2-10,20,24H,11-14H2,1H3
InChIKeySBZQPOWZGHEGPU-UHFFFAOYSA-N
XLogP3.37
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol (CID 3937063) is 7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol is COc1ccc(C(c2ccc3cccnc3c2O)N2CCOCC2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol?
The InChIKey is SBZQPOWZGHEGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-17-7-4-16(5-8-17)20(23-11-13-26-14-12-23)18-9-6-15-3-2-10-22-19(15)21(18)24/h2-10,20,24H,11-14H2,1H3.
What are the key properties of 7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol?
7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol has a molecular weight of 350.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 3937063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).