4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine

C28H29N3O2 — CID 126593959

IUPAC4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
SMILESCOc1ncccc1-c1ccnc2cc(C)c(-c3ccc(CN4CCOCC4)cc3)c(C)c12
InChIInChI=1S/C28H29N3O2/c1-19-17-25-27(23(10-12-29-25)24-5-4-11-30-28(24)32-3)20(2)26(19)22-8-6-21(7-9-22)18-31-13-15-33-16-14-31/h4-12,17H,13-16,18H2,1-3H3
InChIKeyUZZZVJSAHCZPAS-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.42
Rot. Bonds5

About 4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine

4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine (PubChem CID 126593959) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
PubChem CID126593959
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
SMILESCOc1ncccc1-c1ccnc2cc(C)c(-c3ccc(CN4CCOCC4)cc3)c(C)c12
InChIInChI=1S/C28H29N3O2/c1-19-17-25-27(23(10-12-29-25)24-5-4-11-30-28(24)32-3)20(2)26(19)22-8-6-21(7-9-22)18-31-13-15-33-16-14-31/h4-12,17H,13-16,18H2,1-3H3
InChIKeyUZZZVJSAHCZPAS-UHFFFAOYSA-N
XLogP5.42
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine (CID 126593959) is 4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine is COc1ncccc1-c1ccnc2cc(C)c(-c3ccc(CN4CCOCC4)cc3)c(C)c12.
What is the InChIKey of 4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The InChIKey is UZZZVJSAHCZPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-19-17-25-27(23(10-12-29-25)24-5-4-11-30-28(24)32-3)20(2)26(19)22-8-6-21(7-9-22)18-31-13-15-33-16-14-31/h4-12,17H,13-16,18H2,1-3H3.
What are the key properties of 4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine has a molecular weight of 439.56 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(2-methoxy-3-pyridinyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 126593959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).