5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol

C20H18Cl2N2O2 — CID 1181700

IUPAC5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol
SMILESOc1c(C(c2ccc(Cl)cc2)N2CCOCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C20H18Cl2N2O2/c21-14-5-3-13(4-6-14)19(24-8-10-26-11-9-24)16-12-17(22)15-2-1-7-23-18(15)20(16)25/h1-7,12,19,25H,8-11H2
InChIKeyDCTAYAHGXNQCJD-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.67
Rot. Bonds3

About 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol

5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol (PubChem CID 1181700) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol
PubChem CID1181700
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol
SMILESOc1c(C(c2ccc(Cl)cc2)N2CCOCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C20H18Cl2N2O2/c21-14-5-3-13(4-6-14)19(24-8-10-26-11-9-24)16-12-17(22)15-2-1-7-23-18(15)20(16)25/h1-7,12,19,25H,8-11H2
InChIKeyDCTAYAHGXNQCJD-UHFFFAOYSA-N
XLogP4.67
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol (CID 1181700) is 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol is Oc1c(C(c2ccc(Cl)cc2)N2CCOCC2)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol?
The InChIKey is DCTAYAHGXNQCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c21-14-5-3-13(4-6-14)19(24-8-10-26-11-9-24)16-12-17(22)15-2-1-7-23-18(15)20(16)25/h1-7,12,19,25H,8-11H2.
What are the key properties of 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol?
5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol has a molecular weight of 389.28 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 1181700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).