4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine

C36H31N3O — CID 4693893

IUPAC4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine
SMILESCc1ccc2nc(-c3c(N4CCOCC4)nc4ccc(C)cc4c3-c3ccccc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C36H31N3O/c1-24-13-15-31-29(21-24)28(26-9-5-3-6-10-26)23-33(37-31)35-34(27-11-7-4-8-12-27)30-22-25(2)14-16-32(30)38-36(35)39-17-19-40-20-18-39/h3-16,21-23H,17-20H2,1-2H3
InChIKeyOWENHHUONHFXEB-UHFFFAOYSA-N
MW521.66 g/mol
LogP8.24
Rot. Bonds4

About 4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine

4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine (PubChem CID 4693893) has the molecular formula C36H31N3O and a molecular weight of 521.66 g/mol. Its IUPAC name is 4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine
PubChem CID4693893
Molecular FormulaC36H31N3O
Molecular Weight521.66 g/mol
Exact Mass521.25
IUPAC Name4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine
SMILESCc1ccc2nc(-c3c(N4CCOCC4)nc4ccc(C)cc4c3-c3ccccc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C36H31N3O/c1-24-13-15-31-29(21-24)28(26-9-5-3-6-10-26)23-33(37-31)35-34(27-11-7-4-8-12-27)30-22-25(2)14-16-32(30)38-36(35)39-17-19-40-20-18-39/h3-16,21-23H,17-20H2,1-2H3
InChIKeyOWENHHUONHFXEB-UHFFFAOYSA-N
XLogP8.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine?
The IUPAC name of 4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine (CID 4693893) is 4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine?
The canonical SMILES for 4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine is Cc1ccc2nc(-c3c(N4CCOCC4)nc4ccc(C)cc4c3-c3ccccc3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine?
The InChIKey is OWENHHUONHFXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N3O/c1-24-13-15-31-29(21-24)28(26-9-5-3-6-10-26)23-33(37-31)35-34(27-11-7-4-8-12-27)30-22-25(2)14-16-32(30)38-36(35)39-17-19-40-20-18-39/h3-16,21-23H,17-20H2,1-2H3.
What are the key properties of 4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine?
4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine has a molecular weight of 521.66 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-3-(6-methyl-4-phenylquinolin-2-yl)-4-phenylquinolin-2-yl]morpholine is sourced from PubChem (CID 4693893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).