(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

C22H18ClNO4 — CID 7626490

IUPAC(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESO=C(OCc1cc(Cl)c2c(c1)OCCO2)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C22H18ClNO4/c23-16-10-13(11-19-21(16)27-9-8-26-19)12-28-22(25)20-14-4-1-2-6-17(14)24-18-7-3-5-15(18)20/h1-2,4,6,10-11H,3,5,7-9,12H2
InChIKeyLBMHZUVAXVTFTQ-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.51
Rot. Bonds3

About (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 7626490) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID7626490
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESO=C(OCc1cc(Cl)c2c(c1)OCCO2)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C22H18ClNO4/c23-16-10-13(11-19-21(16)27-9-8-26-19)12-28-22(25)20-14-4-1-2-6-17(14)24-18-7-3-5-15(18)20/h1-2,4,6,10-11H,3,5,7-9,12H2
InChIKeyLBMHZUVAXVTFTQ-UHFFFAOYSA-N
XLogP4.51
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate with MolForge

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 71905055
(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate
CID 9291598
(4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889985
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585220
(5-methyl-1,2-oxazol-3-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8943905
(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 23851285
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 135734795
[2-(4-chloroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2463707
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1H-indole-3-carboxylate
CID 7644968
2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 5021618
2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2652516

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 7626490) is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is LBMHZUVAXVTFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-16-10-13(11-19-21(16)27-9-8-26-19)12-28-22(25)20-14-4-1-2-6-17(14)24-18-7-3-5-15(18)20/h1-2,4,6,10-11H,3,5,7-9,12H2.
What are the key properties of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 395.84 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 7626490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).