6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline

C30H29NO — CID 166913046

IUPAC6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline
SMILESCC(C)Cc1cc(-c2nccc3cc(C4CCCC4)ccc23)c2oc3ccccc3c2c1
InChIInChI=1S/C30H29NO/c1-19(2)15-20-16-26-25-9-5-6-10-28(25)32-30(26)27(17-20)29-24-12-11-22(21-7-3-4-8-21)18-23(24)13-14-31-29/h5-6,9-14,16-19,21H,3-4,7-8,15H2,1-2H3
InChIKeyIVMOKOPFPKSRNK-UHFFFAOYSA-N
MW419.57 g/mol
LogP8.66
Rot. Bonds4

About 6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline

6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline (PubChem CID 166913046) has the molecular formula C30H29NO and a molecular weight of 419.57 g/mol. Its IUPAC name is 6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline.

Molecular Properties

Compound Name6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline
PubChem CID166913046
Molecular FormulaC30H29NO
Molecular Weight419.57 g/mol
Exact Mass419.22
IUPAC Name6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline
SMILESCC(C)Cc1cc(-c2nccc3cc(C4CCCC4)ccc23)c2oc3ccccc3c2c1
InChIInChI=1S/C30H29NO/c1-19(2)15-20-16-26-25-9-5-6-10-28(25)32-30(26)27(17-20)29-24-12-11-22(21-7-3-4-8-21)18-23(24)13-14-31-29/h5-6,9-14,16-19,21H,3-4,7-8,15H2,1-2H3
InChIKeyIVMOKOPFPKSRNK-UHFFFAOYSA-N
XLogP8.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclopentyl-1-(2-methyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;1-(2-hydroxyphenyl)ethanone;iridium
CID 167337850
6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
CID 167258283
3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline
CID 140916453
6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
CID 167258297
4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108
1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline
CID 154960405
1-(5-cyclopentyl-1-benzofuran-7-yl)-6-methylisoquinoline
CID 167259555
4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 155612348
1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline
CID 170219842
6-(4,4-difluorocyclohexyl)-1-(4-fluoro-2,5-dimethyl-1-benzofuran-7-yl)isoquinoline
CID 167258509
carbanide;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;6-(4,4-difluorocyclohexyl)-1-(2-methyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;iridium
CID 168847271
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169038715

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline?
The IUPAC name of 6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline (CID 166913046) is 6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline.
What is the SMILES notation for 6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline?
The canonical SMILES for 6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline is CC(C)Cc1cc(-c2nccc3cc(C4CCCC4)ccc23)c2oc3ccccc3c2c1.
What is the InChIKey of 6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline?
The InChIKey is IVMOKOPFPKSRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO/c1-19(2)15-20-16-26-25-9-5-6-10-28(25)32-30(26)27(17-20)29-24-12-11-22(21-7-3-4-8-21)18-23(24)13-14-31-29/h5-6,9-14,16-19,21H,3-4,7-8,15H2,1-2H3.
What are the key properties of 6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline?
6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline has a molecular weight of 419.57 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline is sourced from PubChem (CID 166913046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).