2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline

C34H40N2 — CID 568893

IUPAC2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline
SMILESCC1=CC(C)(C)N(Cc2ccc(CN3c4cc(C)ccc4C(C)=CC3(C)C)cc2)c2cc(C)ccc21
InChIInChI=1S/C34H40N2/c1-23-9-15-29-25(3)19-33(5,6)35(31(29)17-23)21-27-11-13-28(14-12-27)22-36-32-18-24(2)10-16-30(32)26(4)20-34(36,7)8/h9-20H,21-22H2,1-8H3
InChIKeyGXMZQABLXLJBNS-UHFFFAOYSA-N
MW476.71 g/mol
LogP8.71
Rot. Bonds4

About 2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline

2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline (PubChem CID 568893) has the molecular formula C34H40N2 and a molecular weight of 476.71 g/mol. Its IUPAC name is 2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline.

Molecular Properties

Compound Name2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline
PubChem CID568893
Molecular FormulaC34H40N2
Molecular Weight476.71 g/mol
Exact Mass476.32
IUPAC Name2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline
SMILESCC1=CC(C)(C)N(Cc2ccc(CN3c4cc(C)ccc4C(C)=CC3(C)C)cc2)c2cc(C)ccc21
InChIInChI=1S/C34H40N2/c1-23-9-15-29-25(3)19-33(5,6)35(31(29)17-23)21-27-11-13-28(14-12-27)22-36-32-18-24(2)10-16-30(32)26(4)20-34(36,7)8/h9-20H,21-22H2,1-8H3
InChIKeyGXMZQABLXLJBNS-UHFFFAOYSA-N
XLogP8.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline?
The IUPAC name of 2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline (CID 568893) is 2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline.
What is the SMILES notation for 2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline?
The canonical SMILES for 2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline is CC1=CC(C)(C)N(Cc2ccc(CN3c4cc(C)ccc4C(C)=CC3(C)C)cc2)c2cc(C)ccc21.
What is the InChIKey of 2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline?
The InChIKey is GXMZQABLXLJBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2/c1-23-9-15-29-25(3)19-33(5,6)35(31(29)17-23)21-27-11-13-28(14-12-27)22-36-32-18-24(2)10-16-30(32)26(4)20-34(36,7)8/h9-20H,21-22H2,1-8H3.
What are the key properties of 2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline?
2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline has a molecular weight of 476.71 g/mol, XLogP of 8.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,7-tetramethyl-1-[[4-[(2,2,4,7-tetramethylquinolin-1-yl)methyl]phenyl]methyl]quinoline is sourced from PubChem (CID 568893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).