5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline

C43H48N4O — CID 168844799

IUPAC5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(N3CCCc4ccc(Oc5cc6c(c(C(C)(C)C)c5)CCCN6c5cc(C(C)(C)C)ccn5)cc43)cc2C)c([2H])c1[2H]
InChIInChI=1S/C43H48N4O/c1-29-23-40(45-28-36(29)30-13-9-8-10-14-30)46-21-11-15-31-17-18-33(26-38(31)46)48-34-25-37(43(5,6)7)35-16-12-22-47(39(35)27-34)41-24-32(19-20-44-41)42(2,3)4/h8-10,13-14,17-20,23-28H,11-12,15-16,21-22H2,1-7H3/i8D,9D,10D,13D,14D
InChIKeyBDJCWNPLMWIUQD-KKQRFCNESA-N
MW641.91 g/mol
LogP11.01
Rot. Bonds5

About 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline

5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline (PubChem CID 168844799) has the molecular formula C43H48N4O and a molecular weight of 641.91 g/mol. Its IUPAC name is 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline
PubChem CID168844799
Molecular FormulaC43H48N4O
Molecular Weight641.91 g/mol
Exact Mass641.41
IUPAC Name5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(N3CCCc4ccc(Oc5cc6c(c(C(C)(C)C)c5)CCCN6c5cc(C(C)(C)C)ccn5)cc43)cc2C)c([2H])c1[2H]
InChIInChI=1S/C43H48N4O/c1-29-23-40(45-28-36(29)30-13-9-8-10-14-30)46-21-11-15-31-17-18-33(26-38(31)46)48-34-25-37(43(5,6)7)35-16-12-22-47(39(35)27-34)41-24-32(19-20-44-41)42(2,3)4/h8-10,13-14,17-20,23-28H,11-12,15-16,21-22H2,1-7H3/i8D,9D,10D,13D,14D
InChIKeyBDJCWNPLMWIUQD-KKQRFCNESA-N
XLogP11.01
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.91
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-7-[[1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 168844670
5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline
CID 168844653
5-tert-butyl-1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-7-[[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline
CID 168844704
1-[3,4-ditert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline
CID 168844783
1-[3,4-ditert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-7-[2-[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-quinoline
CID 168844808
7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
CID 168844813
[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
CID 169066594
1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
CID 168844719
1-(4-tert-butyl-2-pyridinyl)-6-phenyl-3,4-dihydro-2H-quinolin-7-ol
CID 169066604
1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile
CID 168844728
[1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 171056672
1-(4-methyl-5-phenyl-2-pyridinyl)-7-[2-[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
CID 168844737

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline?
The IUPAC name of 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline (CID 168844799) is 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline is [2H]c1c([2H])c([2H])c(-c2cnc(N3CCCc4ccc(Oc5cc6c(c(C(C)(C)C)c5)CCCN6c5cc(C(C)(C)C)ccn5)cc43)cc2C)c([2H])c1[2H].
What is the InChIKey of 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline?
The InChIKey is BDJCWNPLMWIUQD-KKQRFCNESA-N. The full InChI is InChI=1S/C43H48N4O/c1-29-23-40(45-28-36(29)30-13-9-8-10-14-30)46-21-11-15-31-17-18-33(26-38(31)46)48-34-25-37(43(5,6)7)35-16-12-22-47(39(35)27-34)41-24-32(19-20-44-41)42(2,3)4/h8-10,13-14,17-20,23-28H,11-12,15-16,21-22H2,1-7H3/i8D,9D,10D,13D,14D.
What are the key properties of 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline?
5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline has a molecular weight of 641.91 g/mol, XLogP of 11.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 168844799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).