2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline

C32H25NO3 — CID 141286089

IUPAC2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline
SMILESC=Cc1c(C2CC2)nc2cc(Oc3ccccc3)c(Oc3ccccc3)cc2c1Oc1ccccc1
InChIInChI=1S/C32H25NO3/c1-2-26-31(22-18-19-22)33-28-21-30(35-24-14-8-4-9-15-24)29(34-23-12-6-3-7-13-23)20-27(28)32(26)36-25-16-10-5-11-17-25/h2-17,20-22H,1,18-19H2
InChIKeyLYNRGCQNEDBMIB-UHFFFAOYSA-N
MW471.56 g/mol
LogP9.13
Rot. Bonds8

About 2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline

2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline (PubChem CID 141286089) has the molecular formula C32H25NO3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline.

Molecular Properties

Compound Name2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline
PubChem CID141286089
Molecular FormulaC32H25NO3
Molecular Weight471.56 g/mol
Exact Mass471.18
IUPAC Name2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline
SMILESC=Cc1c(C2CC2)nc2cc(Oc3ccccc3)c(Oc3ccccc3)cc2c1Oc1ccccc1
InChIInChI=1S/C32H25NO3/c1-2-26-31(22-18-19-22)33-28-21-30(35-24-14-8-4-9-15-24)29(34-23-12-6-3-7-13-23)20-27(28)32(26)36-25-16-10-5-11-17-25/h2-17,20-22H,1,18-19H2
InChIKeyLYNRGCQNEDBMIB-UHFFFAOYSA-N
XLogP9.13
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline
CID 141286071
2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline
CID 141286092
2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline
CID 141286091
4-cyclohexyl-2-phenoxyquinazoline
CID 44519771
2-cyclopropyl-3-(3,3-dimethylbut-1-enyl)-4-(4-methylphenyl)quinoline;2-cyclopropyl-3-[(E)-3,3-dimethylbut-1-enyl]-4-(4-methylphenyl)quinoline
CID 162286872
4-chloro-2-cyclopropyl-6-phenoxyquinoline
CID 63408910
2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline
CID 123797068
2-cyclopropyl-5-methoxyquinolin-3-ol
CID 165464756
2-cyclopropyl-6-phenoxypyrimidin-4-amine
CID 80965794
(E)-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-1-ene-3,5-diol
CID 22412416
(E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-en-1-ol
CID 15480490
ethyl 6-cyclopentyl-5-methyl-2-phenoxypyridine-3-carboxylate
CID 170718319

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline?
The IUPAC name of 2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline (CID 141286089) is 2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline.
What is the SMILES notation for 2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline?
The canonical SMILES for 2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline is C=Cc1c(C2CC2)nc2cc(Oc3ccccc3)c(Oc3ccccc3)cc2c1Oc1ccccc1.
What is the InChIKey of 2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline?
The InChIKey is LYNRGCQNEDBMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO3/c1-2-26-31(22-18-19-22)33-28-21-30(35-24-14-8-4-9-15-24)29(34-23-12-6-3-7-13-23)20-27(28)32(26)36-25-16-10-5-11-17-25/h2-17,20-22H,1,18-19H2.
What are the key properties of 2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline?
2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline has a molecular weight of 471.56 g/mol, XLogP of 9.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline is sourced from PubChem (CID 141286089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).