1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol

C30H19N5O2 — CID 165161406

IUPAC1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol
SMILESOc1nc2ccccc2n1-c1nc(Oc2cccc(-c3ncnc4ccccc34)c2)cc2ccccc12
InChIInChI=1S/C30H19N5O2/c36-30-33-25-14-5-6-15-26(25)35(30)29-22-11-2-1-8-19(22)17-27(34-29)37-21-10-7-9-20(16-21)28-23-12-3-4-13-24(23)31-18-32-28/h1-18H,(H,33,36)
InChIKeyZRZKDVLNSVWZSU-UHFFFAOYSA-N
MW481.52 g/mol
LogP6.68
Rot. Bonds4

About 1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol

1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol (PubChem CID 165161406) has the molecular formula C30H19N5O2 and a molecular weight of 481.52 g/mol. Its IUPAC name is 1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol.

Molecular Properties

Compound Name1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol
PubChem CID165161406
Molecular FormulaC30H19N5O2
Molecular Weight481.52 g/mol
Exact Mass481.15
IUPAC Name1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol
SMILESOc1nc2ccccc2n1-c1nc(Oc2cccc(-c3ncnc4ccccc34)c2)cc2ccccc12
InChIInChI=1S/C30H19N5O2/c36-30-33-25-14-5-6-15-26(25)35(30)29-22-11-2-1-8-19(22)17-27(34-29)37-21-10-7-9-20(16-21)28-23-12-3-4-13-24(23)31-18-32-28/h1-18H,(H,33,36)
InChIKeyZRZKDVLNSVWZSU-UHFFFAOYSA-N
XLogP6.68
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-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

4-naphthalen-2-ylquinazoline
CID 58881337
1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum
CID 165161309
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
CID 153421215
2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol
CID 164823529
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol
CID 154589986
2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168551800
2-phenyl-6-(3-pyridin-2-ylphenoxy)pyridine
CID 58871043
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole
CID 177287913
7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline
CID 159038864

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol?
The IUPAC name of 1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol (CID 165161406) is 1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol.
What is the SMILES notation for 1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol?
The canonical SMILES for 1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol is Oc1nc2ccccc2n1-c1nc(Oc2cccc(-c3ncnc4ccccc34)c2)cc2ccccc12.
What is the InChIKey of 1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol?
The InChIKey is ZRZKDVLNSVWZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N5O2/c36-30-33-25-14-5-6-15-26(25)35(30)29-22-11-2-1-8-19(22)17-27(34-29)37-21-10-7-9-20(16-21)28-23-12-3-4-13-24(23)31-18-32-28/h1-18H,(H,33,36).
What are the key properties of 1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol?
1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol has a molecular weight of 481.52 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-quinazolin-4-ylphenoxy)isoquinolin-1-yl]benzimidazol-2-ol is sourced from PubChem (CID 165161406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).