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

C39H53N3O — CID 139243645

IUPAC1,2,2,3-tetramethyl-6-[1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol
SMILESCC1C(O)c2cc(C3c4cc(C5c6ccccc6N(C)C(C)(C)C5C)ccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C
InChIInChI=1S/C39H53N3O/c1-23-34(28-15-13-14-16-31(28)40(10)37(23,4)5)26-17-19-32-29(21-26)35(24(2)38(6,7)41(32)11)27-18-20-33-30(22-27)36(43)25(3)39(8,9)42(33)12/h13-25,34-36,43H,1-12H3
InChIKeyVMSBLFADLLXZRZ-UHFFFAOYSA-N
MW579.87 g/mol
LogP8.58
Rot. Bonds2

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

1,2,2,3-tetramethyl-6-[1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol (PubChem CID 139243645) has the molecular formula C39H53N3O and a molecular weight of 579.87 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-6-[1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-6-[1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol
PubChem CID139243645
Molecular FormulaC39H53N3O
Molecular Weight579.87 g/mol
Exact Mass579.42
IUPAC Name1,2,2,3-tetramethyl-6-[1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol
SMILESCC1C(O)c2cc(C3c4cc(C5c6ccccc6N(C)C(C)(C)C5C)ccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C
InChIInChI=1S/C39H53N3O/c1-23-34(28-15-13-14-16-31(28)40(10)37(23,4)5)26-17-19-32-29(21-26)35(24(2)38(6,7)41(32)11)27-18-20-33-30(22-27)36(43)25(3)39(8,9)42(33)12/h13-25,34-36,43H,1-12H3
InChIKeyVMSBLFADLLXZRZ-UHFFFAOYSA-N
XLogP8.58
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.87
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2,2,3-tetramethyl-6-[1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol with MolForge

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Related Compounds

Cyclohexyl-[3-(4-o-tolyl-piperazin-1-ylmethyl)-phenyl]-methanol
CID 44355621
10-Methyl-9-phenylacridin-9-ol
CID 232869
1,2,2,3-Tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline
CID 139243638
1,2,2,3-Tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
CID 139243646
1,2,2,3-Tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
CID 139243648
1,2,2,3-Tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
CID 139243650
1,2,2,3-Tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
CID 139243652
1,2,2,3,6-Pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
CID 139243654
1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 58834496
1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 170429252
4-Hydroxy-1,2,6-trimethyl-1,2,3,4-tetrahydroquinoline
CID 129760678
3-Hydroxy-3-(p-tolyl)benzo[b]quinuclidine
CID 129783739

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-6-[1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-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-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol (CID 139243645) is 1,2,2,3-tetramethyl-6-[1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-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-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-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-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol is CC1C(O)c2cc(C3c4cc(C5c6ccccc6N(C)C(C)(C)C5C)ccc4N(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-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol?
The InChIKey is VMSBLFADLLXZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H53N3O/c1-23-34(28-15-13-14-16-31(28)40(10)37(23,4)5)26-17-19-32-29(21-26)35(24(2)38(6,7)41(32)11)27-18-20-33-30(22-27)36(43)25(3)39(8,9)42(33)12/h13-25,34-36,43H,1-12H3.
What are the key properties of 1,2,2,3-tetramethyl-6-[1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol?
1,2,2,3-tetramethyl-6-[1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol has a molecular weight of 579.87 g/mol, XLogP of 8.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-6-[1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-3,4-dihydroquinolin-4-yl]-3,4-dihydroquinolin-4-ol is sourced from PubChem (CID 139243645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).