1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol

C26H36N2O — CID 139243637

IUPAC1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol
SMILESCC1C(O)c2cc(C3c4ccccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C
InChIInChI=1S/C26H36N2O/c1-16-23(19-11-9-10-12-21(19)27(7)25(16,3)4)18-13-14-22-20(15-18)24(29)17(2)26(5,6)28(22)8/h9-17,23-24,29H,1-8H3
InChIKeyKNPGRDWVBISABF-UHFFFAOYSA-N
MW392.59 g/mol
LogP5.58
Rot. Bonds1

About 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol

1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol (PubChem CID 139243637) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol
PubChem CID139243637
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol
SMILESCC1C(O)c2cc(C3c4ccccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C
InChIInChI=1S/C26H36N2O/c1-16-23(19-11-9-10-12-21(19)27(7)25(16,3)4)18-13-14-22-20(15-18)24(29)17(2)26(5,6)28(22)8/h9-17,23-24,29H,1-8H3
InChIKeyKNPGRDWVBISABF-UHFFFAOYSA-N
XLogP5.58
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol?
The IUPAC name of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol (CID 139243637) is 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol.
What is the SMILES notation for 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol?
The canonical SMILES for 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol is CC1C(O)c2cc(C3c4ccccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol?
The InChIKey is KNPGRDWVBISABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-16-23(19-11-9-10-12-21(19)27(7)25(16,3)4)18-13-14-22-20(15-18)24(29)17(2)26(5,6)28(22)8/h9-17,23-24,29H,1-8H3.
What are the key properties of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol?
1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol has a molecular weight of 392.59 g/mol, XLogP of 5.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-ol is sourced from PubChem (CID 139243637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).