6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline

C26H22FNO — CID 162494248

IUPAC6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline
SMILESCc1cc(-c2cc(CC(C)C)c3cc(F)ccc3n2)c2oc3ccccc3c2c1
InChIInChI=1S/C26H22FNO/c1-15(2)10-17-13-24(28-23-9-8-18(27)14-20(17)23)22-12-16(3)11-21-19-6-4-5-7-25(19)29-26(21)22/h4-9,11-15H,10H2,1-3H3
InChIKeyLQIYFTYWDJHHQP-UHFFFAOYSA-N
MW383.47 g/mol
LogP7.45
Rot. Bonds3

About 6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline

6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline (PubChem CID 162494248) has the molecular formula C26H22FNO and a molecular weight of 383.47 g/mol. Its IUPAC name is 6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline.

Molecular Properties

Compound Name6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline
PubChem CID162494248
Molecular FormulaC26H22FNO
Molecular Weight383.47 g/mol
Exact Mass383.17
IUPAC Name6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline
SMILESCc1cc(-c2cc(CC(C)C)c3cc(F)ccc3n2)c2oc3ccccc3c2c1
InChIInChI=1S/C26H22FNO/c1-15(2)10-17-13-24(28-23-9-8-18(27)14-20(17)23)22-12-16(3)11-21-19-6-4-5-7-25(19)29-26(21)22/h4-9,11-15H,10H2,1-3H3
InChIKeyLQIYFTYWDJHHQP-UHFFFAOYSA-N
XLogP7.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.47
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline
CID 155627713
3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline
CID 140916453
7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline
CID 170683675
trimethyl-[4-(5-methyl-2-pyridinyl)dibenzofuran-2-yl]silane
CID 164796799
4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
CID 170683606
5-fluoro-1-(2-methyldibenzofuran-4-yl)-4-propan-2-ylisoquinoline
CID 170683645
3-(2-tert-butyldibenzofuran-4-yl)-1-phenylbenzo[f]quinoline
CID 140916344
2,6-dimethyl-8-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 170140370
6-(2,2-dimethylpropyl)-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
CID 170683685
4-(4-iodophenyl)-2-methyldibenzofuran
CID 161298948
2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176757249
3-cyclopentyl-7-fluoro-1-(2-propan-2-yldibenzofuran-4-yl)isoquinoline
CID 170683726

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline?
The IUPAC name of 6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline (CID 162494248) is 6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline.
What is the SMILES notation for 6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline?
The canonical SMILES for 6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline is Cc1cc(-c2cc(CC(C)C)c3cc(F)ccc3n2)c2oc3ccccc3c2c1.
What is the InChIKey of 6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline?
The InChIKey is LQIYFTYWDJHHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO/c1-15(2)10-17-13-24(28-23-9-8-18(27)14-20(17)23)22-12-16(3)11-21-19-6-4-5-7-25(19)29-26(21)22/h4-9,11-15H,10H2,1-3H3.
What are the key properties of 6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline?
6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline has a molecular weight of 383.47 g/mol, XLogP of 7.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline is sourced from PubChem (CID 162494248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).