4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

C28H29N3O2 — CID 139470867

IUPAC4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3CC(C)OC(C)C3)nc2)cnc2c(-c3ccc(C)cc3)cccc12
InChIInChI=1S/C28H29N3O2/c1-18-8-10-21(11-9-18)23-6-5-7-24-27(23)30-15-25(28(24)32-4)22-12-13-26(29-14-22)31-16-19(2)33-20(3)17-31/h5-15,19-20H,16-17H2,1-4H3
InChIKeyMUWLSAKEGSLCKO-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.89
Rot. Bonds4

About 4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 139470867) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
PubChem CID139470867
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3CC(C)OC(C)C3)nc2)cnc2c(-c3ccc(C)cc3)cccc12
InChIInChI=1S/C28H29N3O2/c1-18-8-10-21(11-9-18)23-6-5-7-24-27(23)30-15-25(28(24)32-4)22-12-13-26(29-14-22)31-16-19(2)33-20(3)17-31/h5-15,19-20H,16-17H2,1-4H3
InChIKeyMUWLSAKEGSLCKO-UHFFFAOYSA-N
XLogP5.89
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (CID 139470867) is 4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is COc1c(-c2ccc(N3CC(C)OC(C)C3)nc2)cnc2c(-c3ccc(C)cc3)cccc12.
What is the InChIKey of 4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
The InChIKey is MUWLSAKEGSLCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-18-8-10-21(11-9-18)23-6-5-7-24-27(23)30-15-25(28(24)32-4)22-12-13-26(29-14-22)31-16-19(2)33-20(3)17-31/h5-15,19-20H,16-17H2,1-4H3.
What are the key properties of 4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 439.56 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 139470867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).