2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione

C24H27NO3 — CID 137483930

IUPAC2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(OC4CCCCC4)ccc(c23)C(=O)N1C1CCCCC1
InChIInChI=1S/C24H27NO3/c26-23-19-13-7-12-18-21(28-17-10-5-2-6-11-17)15-14-20(22(18)19)24(27)25(23)16-8-3-1-4-9-16/h7,12-17H,1-6,8-11H2
InChIKeyWFXYYCJQQKKJCW-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.48
Rot. Bonds3

About 2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione

2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione (PubChem CID 137483930) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione
PubChem CID137483930
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(OC4CCCCC4)ccc(c23)C(=O)N1C1CCCCC1
InChIInChI=1S/C24H27NO3/c26-23-19-13-7-12-18-21(28-17-10-5-2-6-11-17)15-14-20(22(18)19)24(27)25(23)16-8-3-1-4-9-16/h7,12-17H,1-6,8-11H2
InChIKeyWFXYYCJQQKKJCW-UHFFFAOYSA-N
XLogP5.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione
CID 18400496
2-cyclohexyl-6-[4-[4-(2-cyclohexyl-1,3-dioxobenzo[de]isoquinolin-6-yl)phenyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 137492349
6-cyclohexyloxy-2-(2-ethylhexyl)benzo[de]isoquinoline-1,3-dione
CID 137492160
(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl prop-2-enoate
CID 11545357
5-(2-cyclohexyl-1,3-dioxobenzo[de]isoquinolin-6-yl)oxypentyl prop-2-enoate
CID 58942713
2-cyclodecylisoindole-1,3-dione
CID 123786237
6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate
CID 11662663
5-amino-16-cyclohexyl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione
CID 15476515
7,18-dicyclohexyl-11,22-di(piperidin-1-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 15426328
5-(2-cyclohept-4-en-1-yl-1,3-dioxobenzo[de]isoquinolin-6-yl)oxypentyl prop-2-enoate
CID 143118750
6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 19769415
6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59469708

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione (CID 137483930) is 2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(OC4CCCCC4)ccc(c23)C(=O)N1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is WFXYYCJQQKKJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c26-23-19-13-7-12-18-21(28-17-10-5-2-6-11-17)15-14-20(22(18)19)24(27)25(23)16-8-3-1-4-9-16/h7,12-17H,1-6,8-11H2.
What are the key properties of 2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione?
2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 377.48 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 137483930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).