ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

C20H23N3O5 — CID 11999440

IUPACethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCOC(=O)c1cc2cc3c(cc2nc1NC(=O)NC1CCCCC1)OCO3
InChIInChI=1S/C20H23N3O5/c1-2-26-19(24)14-8-12-9-16-17(28-11-27-16)10-15(12)22-18(14)23-20(25)21-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H2,21,22,23,25)
InChIKeyXZUUCPKAWNVFSQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.59
Rot. Bonds4

About ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (PubChem CID 11999440) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
PubChem CID11999440
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Nameethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCOC(=O)c1cc2cc3c(cc2nc1NC(=O)NC1CCCCC1)OCO3
InChIInChI=1S/C20H23N3O5/c1-2-26-19(24)14-8-12-9-16-17(28-11-27-16)10-15(12)22-18(14)23-20(25)21-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H2,21,22,23,25)
InChIKeyXZUUCPKAWNVFSQ-UHFFFAOYSA-N
XLogP3.59
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The IUPAC name of ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (CID 11999440) is ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.
What is the SMILES notation for ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The canonical SMILES for ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is CCOC(=O)c1cc2cc3c(cc2nc1NC(=O)NC1CCCCC1)OCO3.
What is the InChIKey of ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The InChIKey is XZUUCPKAWNVFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-2-26-19(24)14-8-12-9-16-17(28-11-27-16)10-15(12)22-18(14)23-20(25)21-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H2,21,22,23,25).
What are the key properties of ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(cyclohexylcarbamoylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is sourced from PubChem (CID 11999440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).