2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol

C35H35N3O2 — CID 176606245

IUPAC2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol
SMILESCc1cc(Oc2ccc3c4c(C)ccc(C(C)(C)C)c4n(-c4ccccn4)c3c2)nc2c(O)c(C(C)C)ccc12
InChIInChI=1S/C35H35N3O2/c1-20(2)24-14-15-25-22(4)18-30(37-32(25)34(24)39)40-23-12-13-26-28(19-23)38(29-10-8-9-17-36-29)33-27(35(5,6)7)16-11-21(3)31(26)33/h8-20,39H,1-7H3
InChIKeyWHJVQEJPWAIJBI-UHFFFAOYSA-N
MW529.68 g/mol
LogP9.26
Rot. Bonds4

About 2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol

2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol (PubChem CID 176606245) has the molecular formula C35H35N3O2 and a molecular weight of 529.68 g/mol. Its IUPAC name is 2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol.

Molecular Properties

Compound Name2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol
PubChem CID176606245
Molecular FormulaC35H35N3O2
Molecular Weight529.68 g/mol
Exact Mass529.27
IUPAC Name2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol
SMILESCc1cc(Oc2ccc3c4c(C)ccc(C(C)(C)C)c4n(-c4ccccn4)c3c2)nc2c(O)c(C(C)C)ccc12
InChIInChI=1S/C35H35N3O2/c1-20(2)24-14-15-25-22(4)18-30(37-32(25)34(24)39)40-23-12-13-26-28(19-23)38(29-10-8-9-17-36-29)33-27(35(5,6)7)16-11-21(3)31(26)33/h8-20,39H,1-7H3
InChIKeyWHJVQEJPWAIJBI-UHFFFAOYSA-N
XLogP9.26
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.68
LogP ≤ 59.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol 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

2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol
CID 176606114
2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum
CID 176605869
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
4-tert-butyl-7-methyl-2-[(8-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]quinolin-8-ol;platinum
CID 176606075
4,7-dimethyl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606675
6-propan-2-yl-2-(8-propan-2-yl-9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176605977
2-[9-(5-tert-butyl-2-pyridinyl)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol
CID 176606765
4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol
CID 176605878
5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606879
2,7-bis[3-tert-butyl-5-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 170672566
12-tert-butyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 154610968
4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606482

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol?
The IUPAC name of 2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol (CID 176606245) is 2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol.
What is the SMILES notation for 2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol?
The canonical SMILES for 2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol is Cc1cc(Oc2ccc3c4c(C)ccc(C(C)(C)C)c4n(-c4ccccn4)c3c2)nc2c(O)c(C(C)C)ccc12.
What is the InChIKey of 2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol?
The InChIKey is WHJVQEJPWAIJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O2/c1-20(2)24-14-15-25-22(4)18-30(37-32(25)34(24)39)40-23-12-13-26-28(19-23)38(29-10-8-9-17-36-29)33-27(35(5,6)7)16-11-21(3)31(26)33/h8-20,39H,1-7H3.
What are the key properties of 2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol?
2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol has a molecular weight of 529.68 g/mol, XLogP of 9.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol is sourced from PubChem (CID 176606245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).