1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline

C33H38N2 — CID 3090972

IUPAC1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline
SMILESCC1=CC(C)(C)N(C)c2ccc(C(c3ccccc3)c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc21
InChIInChI=1S/C33H38N2/c1-22-20-32(3,4)34(7)29-16-14-25(18-27(22)29)31(24-12-10-9-11-13-24)26-15-17-30-28(19-26)23(2)21-33(5,6)35(30)8/h9-21,31H,1-8H3
InChIKeyDYEPMDSJNIXHHO-UHFFFAOYSA-N
MW462.68 g/mol
LogP8.13
Rot. Bonds3

About 1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline

1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline (PubChem CID 3090972) has the molecular formula C33H38N2 and a molecular weight of 462.68 g/mol. Its IUPAC name is 1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline.

Molecular Properties

Compound Name1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline
PubChem CID3090972
Molecular FormulaC33H38N2
Molecular Weight462.68 g/mol
Exact Mass462.30
IUPAC Name1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline
SMILESCC1=CC(C)(C)N(C)c2ccc(C(c3ccccc3)c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc21
InChIInChI=1S/C33H38N2/c1-22-20-32(3,4)34(7)29-16-14-25(18-27(22)29)31(24-12-10-9-11-13-24)26-15-17-30-28(19-26)23(2)21-33(5,6)35(30)8/h9-21,31H,1-8H3
InChIKeyDYEPMDSJNIXHHO-UHFFFAOYSA-N
XLogP8.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline?
The IUPAC name of 1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline (CID 3090972) is 1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline.
What is the SMILES notation for 1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline?
The canonical SMILES for 1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline is CC1=CC(C)(C)N(C)c2ccc(C(c3ccccc3)c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc21.
What is the InChIKey of 1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline?
The InChIKey is DYEPMDSJNIXHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2/c1-22-20-32(3,4)34(7)29-16-14-25(18-27(22)29)31(24-12-10-9-11-13-24)26-15-17-30-28(19-26)23(2)21-33(5,6)35(30)8/h9-21,31H,1-8H3.
What are the key properties of 1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline?
1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline has a molecular weight of 462.68 g/mol, XLogP of 8.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4-tetramethyl-6-[phenyl-(1,2,2,4-tetramethylquinolin-6-yl)methyl]quinoline is sourced from PubChem (CID 3090972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).