8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine

C37H33N3O — CID 162692534

IUPAC8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(CC(C)C)cc2ccc3c(-c4cccc5c4oc4nc(-c6ccccc6)ccc45)nc(C(C)C)nc3c12
InChIInChI=1S/C37H33N3O/c1-21(2)18-24-19-23(5)32-26(20-24)14-15-29-33(39-36(22(3)4)40-34(29)32)30-13-9-12-27-28-16-17-31(25-10-7-6-8-11-25)38-37(28)41-35(27)30/h6-17,19-22H,18H2,1-5H3
InChIKeyHRIUQQSAPTUATJ-UHFFFAOYSA-N
MW535.69 g/mol
LogP10.04
Rot. Bonds5

About 8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine

8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 162692534) has the molecular formula C37H33N3O and a molecular weight of 535.69 g/mol. Its IUPAC name is 8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
PubChem CID162692534
Molecular FormulaC37H33N3O
Molecular Weight535.69 g/mol
Exact Mass535.26
IUPAC Name8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(CC(C)C)cc2ccc3c(-c4cccc5c4oc4nc(-c6ccccc6)ccc45)nc(C(C)C)nc3c12
InChIInChI=1S/C37H33N3O/c1-21(2)18-24-19-23(5)32-26(20-24)14-15-29-33(39-36(22(3)4)40-34(29)32)30-13-9-12-27-28-16-17-31(25-10-7-6-8-11-25)38-37(28)41-35(27)30/h6-17,19-22H,18H2,1-5H3
InChIKeyHRIUQQSAPTUATJ-UHFFFAOYSA-N
XLogP10.04
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162692524
4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162692866
(4-dibenzofuran-4-yl-10-methyl-2-propan-2-ylbenzo[h]quinazolin-8-yl)-trimethylgermane
CID 162693027
2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168827656
8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162692686
2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 176722744
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;8-(7-methyl-2-propan-2-ylbenzo[h]quinazolin-4-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162692265
2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669508
3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 162776993
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;2-(2,6-dimethylphenyl)-8-(8,10-dimethyl-2-propan-2-ylbenzo[h]quinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 162693228
4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline
CID 162692996

Frequently Asked Questions

What is the IUPAC name of 8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine (CID 162692534) is 8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine is Cc1cc(CC(C)C)cc2ccc3c(-c4cccc5c4oc4nc(-c6ccccc6)ccc45)nc(C(C)C)nc3c12.
What is the InChIKey of 8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is HRIUQQSAPTUATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N3O/c1-21(2)18-24-19-23(5)32-26(20-24)14-15-29-33(39-36(22(3)4)40-34(29)32)30-13-9-12-27-28-16-17-31(25-10-7-6-8-11-25)38-37(28)41-35(27)30/h6-17,19-22H,18H2,1-5H3.
What are the key properties of 8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 535.69 g/mol, XLogP of 10.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162692534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).