4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine

C30H18N4O — CID 165025501

IUPAC4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccnc5c4oc4ccccc45)c3)c3ccccc3n2)nc1
InChIInChI=1S/C30H18N4O/c1-3-12-24-22(10-1)27(34-30(33-24)25-13-5-6-16-31-25)20-9-7-8-19(18-20)21-15-17-32-28-23-11-2-4-14-26(23)35-29(21)28/h1-18H
InChIKeyLVABJBLYDOEJOR-UHFFFAOYSA-N
MW450.50 g/mol
LogP7.32
Rot. Bonds3

About 4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine

4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 165025501) has the molecular formula C30H18N4O and a molecular weight of 450.50 g/mol. Its IUPAC name is 4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID165025501
Molecular FormulaC30H18N4O
Molecular Weight450.50 g/mol
Exact Mass450.15
IUPAC Name4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccnc5c4oc4ccccc45)c3)c3ccccc3n2)nc1
InChIInChI=1S/C30H18N4O/c1-3-12-24-22(10-1)27(34-30(33-24)25-13-5-6-16-31-25)20-9-7-8-19(18-20)21-15-17-32-28-23-11-2-4-14-26(23)35-29(21)28/h1-18H
InChIKeyLVABJBLYDOEJOR-UHFFFAOYSA-N
XLogP7.32
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336371
4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 139406317
4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline
CID 167146078
4-[11,17-bis([1]benzofuro[3,2-b]pyridin-4-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-[1]benzofuro[3,2-b]pyridine;2-(11,17-dipyridin-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)pyridine;2-[11,17-di(quinazolin-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]quinazoline
CID 160775705
4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 176819166
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336336
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 176819148
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine (CID 165025501) is 4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2nc(-c3cccc(-c4ccnc5c4oc4ccccc45)c3)c3ccccc3n2)nc1.
What is the InChIKey of 4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is LVABJBLYDOEJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4O/c1-3-12-24-22(10-1)27(34-30(33-24)25-13-5-6-16-31-25)20-9-7-8-19(18-20)21-15-17-32-28-23-11-2-4-14-26(23)35-29(21)28/h1-18H.
What are the key properties of 4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 450.50 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 165025501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).