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

C50H54N4O — CID 168844704

IUPAC5-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
SMILESCC(C)(C)c1cc(Oc2ccc3c(c2)N(c2cc(C(C)(C)c4ccccc4)ccn2)CCC3)cc2c1CCCN2c1cc(C(C)(C)c2ccccc2)ccn1
InChIInChI=1S/C50H54N4O/c1-48(2,3)43-32-41(34-45-42(43)21-15-29-54(45)47-31-39(25-27-52-47)50(6,7)37-19-12-9-13-20-37)55-40-23-22-35-16-14-28-53(44(35)33-40)46-30-38(24-26-51-46)49(4,5)36-17-10-8-11-18-36/h8-13,17-20,22-27,30-34H,14-16,21,28-29H2,1-7H3
InChIKeyXSGIDHFBOKBUNP-UHFFFAOYSA-N
MW727.01 g/mol
LogP12.39
Rot. Bonds8

About 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

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 (PubChem CID 168844704) has the molecular formula C50H54N4O and a molecular weight of 727.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID168844704
Molecular FormulaC50H54N4O
Molecular Weight727.01 g/mol
Exact Mass726.43
IUPAC Name5-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
SMILESCC(C)(C)c1cc(Oc2ccc3c(c2)N(c2cc(C(C)(C)c4ccccc4)ccn2)CCC3)cc2c1CCCN2c1cc(C(C)(C)c2ccccc2)ccn1
InChIInChI=1S/C50H54N4O/c1-48(2,3)43-32-41(34-45-42(43)21-15-29-54(45)47-31-39(25-27-52-47)50(6,7)37-19-12-9-13-20-37)55-40-23-22-35-16-14-28-53(44(35)33-40)46-30-38(24-26-51-46)49(4,5)36-17-10-8-11-18-36/h8-13,17-20,22-27,30-34H,14-16,21,28-29H2,1-7H3
InChIKeyXSGIDHFBOKBUNP-UHFFFAOYSA-N
XLogP12.39
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.01
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-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
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
1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
CID 168844776
[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-(4-tert-butyl-2-pyridinyl)-6-phenyl-3,4-dihydro-2H-quinolin-7-ol
CID 169066604
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
2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 160624158
6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158818639
1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile
CID 168844728
2-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159539174
2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 158408346

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(Oc2ccc3c(c2)N(c2cc(C(C)(C)c4ccccc4)ccn2)CCC3)cc2c1CCCN2c1cc(C(C)(C)c2ccccc2)ccn1.
What is the InChIKey of 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?
The InChIKey is XSGIDHFBOKBUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54N4O/c1-48(2,3)43-32-41(34-45-42(43)21-15-29-54(45)47-31-39(25-27-52-47)50(6,7)37-19-12-9-13-20-37)55-40-23-22-35-16-14-28-53(44(35)33-40)46-30-38(24-26-51-46)49(4,5)36-17-10-8-11-18-36/h8-13,17-20,22-27,30-34H,14-16,21,28-29H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 727.01 g/mol, XLogP of 12.39, 8 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-(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 is sourced from PubChem (CID 168844704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).