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

C41H44N4O — CID 168844670

IUPAC5-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
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(N3CCCc4ccc(Oc5cc6c(c(C(C)(C)C)c5)CCCN6c5cc(C)ccn5)cc43)c(C)c2C)c([2H])c1[2H]
InChIInChI=1S/C41H44N4O/c1-27-18-19-42-39(22-27)44-20-11-15-34-36(41(4,5)6)23-33(25-38(34)44)46-32-17-16-31-14-10-21-45(37(31)24-32)40-29(3)28(2)35(26-43-40)30-12-8-7-9-13-30/h7-9,12-13,16-19,22-26H,10-11,14-15,20-21H2,1-6H3/i7D,8D,9D,12D,13D
InChIKeyFTMGNALTYMLJBV-QGYDMBCHSA-N
MW613.86 g/mol
LogP10.33
Rot. Bonds5

About 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

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 (PubChem CID 168844670) has the molecular formula C41H44N4O and a molecular weight of 613.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID168844670
Molecular FormulaC41H44N4O
Molecular Weight613.86 g/mol
Exact Mass613.38
IUPAC Name5-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
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(N3CCCc4ccc(Oc5cc6c(c(C(C)(C)C)c5)CCCN6c5cc(C)ccn5)cc43)c(C)c2C)c([2H])c1[2H]
InChIInChI=1S/C41H44N4O/c1-27-18-19-42-39(22-27)44-20-11-15-34-36(41(4,5)6)23-33(25-38(34)44)46-32-17-16-31-14-10-21-45(37(31)24-32)40-29(3)28(2)35(26-43-40)30-12-8-7-9-13-30/h7-9,12-13,16-19,22-26H,10-11,14-15,20-21H2,1-6H3/i7D,8D,9D,12D,13D
InChIKeyFTMGNALTYMLJBV-QGYDMBCHSA-N
XLogP10.33
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.86
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
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
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
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-(4-methyl-2-pyridinyl)-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 168844659
[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-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
5-isocyano-1-(4-methyl-2-pyridinyl)-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 168844749
[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
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(3,5-ditert-butylphenoxy)-2-pyridinyl]carbazole
CID 170671539

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2cnc(N3CCCc4ccc(Oc5cc6c(c(C(C)(C)C)c5)CCCN6c5cc(C)ccn5)cc43)c(C)c2C)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is FTMGNALTYMLJBV-QGYDMBCHSA-N. The full InChI is InChI=1S/C41H44N4O/c1-27-18-19-42-39(22-27)44-20-11-15-34-36(41(4,5)6)23-33(25-38(34)44)46-32-17-16-31-14-10-21-45(37(31)24-32)40-29(3)28(2)35(26-43-40)30-12-8-7-9-13-30/h7-9,12-13,16-19,22-26H,10-11,14-15,20-21H2,1-6H3/i7D,8D,9D,12D,13D.
What are the key properties of 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?
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 has a molecular weight of 613.86 g/mol, XLogP of 10.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168844670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).