(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate

C19H14ClNO4 — CID 9291598

IUPAC(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2n1
InChIInChI=1S/C19H14ClNO4/c20-14-9-12(10-17-18(14)24-8-7-23-17)11-25-19(22)16-6-5-13-3-1-2-4-15(13)21-16/h1-6,9-10H,7-8,11H2
InChIKeyKWPGRYDQBIIDEW-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.02
Rot. Bonds3

About (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate (PubChem CID 9291598) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate
PubChem CID9291598
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2n1
InChIInChI=1S/C19H14ClNO4/c20-14-9-12(10-17-18(14)24-8-7-23-17)11-25-19(22)16-6-5-13-3-1-2-4-15(13)21-16/h1-6,9-10H,7-8,11H2
InChIKeyKWPGRYDQBIIDEW-UHFFFAOYSA-N
XLogP4.02
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1H-indole-2-carboxylate
CID 7630693
(4-chlorophenyl)methyl quinoline-2-carboxylate
CID 2630806
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate
CID 18196862
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 16562450
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7626490
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1H-indole-3-carboxylate
CID 7644968
2-O-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504982
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3,5-dimethylbenzoate
CID 7604452
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-methylthiophene-2-carboxylate
CID 24633828
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-methylsulfonylbenzoate
CID 18199254
(4-phenylphenyl)methyl quinoline-2-carboxylate
CID 4968223
(3-methylphenyl)methyl quinoline-2-carboxylate
CID 7813134

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate?
The IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate (CID 9291598) is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate.
What is the SMILES notation for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate?
The canonical SMILES for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate is O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2n1.
What is the InChIKey of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate?
The InChIKey is KWPGRYDQBIIDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c20-14-9-12(10-17-18(14)24-8-7-23-17)11-25-19(22)16-6-5-13-3-1-2-4-15(13)21-16/h1-6,9-10H,7-8,11H2.
What are the key properties of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate?
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate has a molecular weight of 355.78 g/mol, XLogP of 4.02, 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 quinoline-2-carboxylate is sourced from PubChem (CID 9291598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).