(2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine

C28H26Cl2N2O2 — CID 126518314

IUPAC(2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3CC(C)O[C@H](C)C3)cc2)cnc2c(-c3ccc(Cl)c(Cl)c3)cccc12
InChIInChI=1S/C28H26Cl2N2O2/c1-17-15-32(16-18(2)34-17)21-10-7-19(8-11-21)24-14-31-27-22(5-4-6-23(27)28(24)33-3)20-9-12-25(29)26(30)13-20/h4-14,17-18H,15-16H2,1-3H3/t17-,18?/m1/s1
InChIKeyHFAGTUFPTQIEDS-QNSVNVJESA-N
MW493.43 g/mol
LogP7.50
Rot. Bonds4

About (2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine

(2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine (PubChem CID 126518314) has the molecular formula C28H26Cl2N2O2 and a molecular weight of 493.43 g/mol. Its IUPAC name is (2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine
PubChem CID126518314
Molecular FormulaC28H26Cl2N2O2
Molecular Weight493.43 g/mol
Exact Mass492.14
IUPAC Name(2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3CC(C)O[C@H](C)C3)cc2)cnc2c(-c3ccc(Cl)c(Cl)c3)cccc12
InChIInChI=1S/C28H26Cl2N2O2/c1-17-15-32(16-18(2)34-17)21-10-7-19(8-11-21)24-14-31-27-22(5-4-6-23(27)28(24)33-3)20-9-12-25(29)26(30)13-20/h4-14,17-18H,15-16H2,1-3H3/t17-,18?/m1/s1
InChIKeyHFAGTUFPTQIEDS-QNSVNVJESA-N
XLogP7.50
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.43
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine (CID 126518314) is (2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine is COc1c(-c2ccc(N3CC(C)O[C@H](C)C3)cc2)cnc2c(-c3ccc(Cl)c(Cl)c3)cccc12.
What is the InChIKey of (2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The InChIKey is HFAGTUFPTQIEDS-QNSVNVJESA-N. The full InChI is InChI=1S/C28H26Cl2N2O2/c1-17-15-32(16-18(2)34-17)21-10-7-19(8-11-21)24-14-31-27-22(5-4-6-23(27)28(24)33-3)20-9-12-25(29)26(30)13-20/h4-14,17-18H,15-16H2,1-3H3/t17-,18?/m1/s1.
What are the key properties of (2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
(2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine has a molecular weight of 493.43 g/mol, XLogP of 7.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 126518314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).