8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine

C26H18FN3O — CID 162693306

IUPAC8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc2ccc3c(-c4ccc(C)c5c4oc4ncccc45)ncnc3c2c(C)c1F
InChIInChI=1S/C26H18FN3O/c1-13-6-8-19(25-20(13)17-5-4-10-28-26(17)31-25)23-18-9-7-16-11-14(2)22(27)15(3)21(16)24(18)30-12-29-23/h4-12H,1-3H3
InChIKeyGFUKKGBXBAPPSI-UHFFFAOYSA-N
MW407.45 g/mol
LogP6.81
Rot. Bonds1

About 8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine

8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 162693306) has the molecular formula C26H18FN3O and a molecular weight of 407.45 g/mol. Its IUPAC name is 8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID162693306
Molecular FormulaC26H18FN3O
Molecular Weight407.45 g/mol
Exact Mass407.14
IUPAC Name8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc2ccc3c(-c4ccc(C)c5c4oc4ncccc45)ncnc3c2c(C)c1F
InChIInChI=1S/C26H18FN3O/c1-13-6-8-19(25-20(13)17-5-4-10-28-26(17)31-25)23-18-9-7-16-11-14(2)22(27)15(3)21(16)24(18)30-12-29-23/h4-12H,1-3H3
InChIKeyGFUKKGBXBAPPSI-UHFFFAOYSA-N
XLogP6.81
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 56.81
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

[8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane
CID 176722750
[4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane
CID 162692980
[4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane
CID 176722779
(4-dibenzofuran-4-yl-8,10-dimethylbenzo[h]quinazolin-9-yl)-trimethylsilane
CID 162692418
trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane
CID 162692555
8-(1,5-dimethylpyridin-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 153237527
8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156668121
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 155611770
8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669661
7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline
CID 162693118
4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline
CID 162693258

Frequently Asked Questions

What is the IUPAC name of 8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine (CID 162693306) is 8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine is Cc1cc2ccc3c(-c4ccc(C)c5c4oc4ncccc45)ncnc3c2c(C)c1F.
What is the InChIKey of 8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is GFUKKGBXBAPPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O/c1-13-6-8-19(25-20(13)17-5-4-10-28-26(17)31-25)23-18-9-7-16-11-14(2)22(27)15(3)21(16)24(18)30-12-29-23/h4-12H,1-3H3.
What are the key properties of 8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 407.45 g/mol, XLogP of 6.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162693306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).