1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline

C26H34N2 — CID 2840003

IUPAC1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline
SMILESCC1=CC(C)(C)N(C)c2ccc(C3(C)CC(C)(C)N(C)c4ccccc43)cc21
InChIInChI=1S/C26H34N2/c1-18-16-24(2,3)27(7)22-14-13-19(15-20(18)22)26(6)17-25(4,5)28(8)23-12-10-9-11-21(23)26/h9-16H,17H2,1-8H3
InChIKeyNJKVMHDSHINWMM-UHFFFAOYSA-N
MW374.57 g/mol
LogP6.24
Rot. Bonds1

About 1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline

1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline (PubChem CID 2840003) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline.

Molecular Properties

Compound Name1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline
PubChem CID2840003
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline
SMILESCC1=CC(C)(C)N(C)c2ccc(C3(C)CC(C)(C)N(C)c4ccccc43)cc21
InChIInChI=1S/C26H34N2/c1-18-16-24(2,3)27(7)22-14-13-19(15-20(18)22)26(6)17-25(4,5)28(8)23-12-10-9-11-21(23)26/h9-16H,17H2,1-8H3
InChIKeyNJKVMHDSHINWMM-UHFFFAOYSA-N
XLogP6.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline?
The IUPAC name of 1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline (CID 2840003) is 1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline.
What is the SMILES notation for 1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline?
The canonical SMILES for 1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline is CC1=CC(C)(C)N(C)c2ccc(C3(C)CC(C)(C)N(C)c4ccccc43)cc21.
What is the InChIKey of 1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline?
The InChIKey is NJKVMHDSHINWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2/c1-18-16-24(2,3)27(7)22-14-13-19(15-20(18)22)26(6)17-25(4,5)28(8)23-12-10-9-11-21(23)26/h9-16H,17H2,1-8H3.
What are the key properties of 1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline?
1,2,2,4-tetramethyl-6-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline has a molecular weight of 374.57 g/mol, XLogP of 6.24, 1 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-(1,2,2,4-tetramethyl-3H-quinolin-4-yl)quinoline is sourced from PubChem (CID 2840003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).