benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

C20H17NO4 — CID 30333547

IUPACbenzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCc1nc2cc3c(cc2c(C)c1C(=O)OCc1ccccc1)OCO3
InChIInChI=1S/C20H17NO4/c1-12-15-8-17-18(25-11-24-17)9-16(15)21-13(2)19(12)20(22)23-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyJMPIQNOZEHIAEW-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.94
Rot. Bonds3

About benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (PubChem CID 30333547) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.

Molecular Properties

Compound Namebenzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
PubChem CID30333547
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Namebenzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCc1nc2cc3c(cc2c(C)c1C(=O)OCc1ccccc1)OCO3
InChIInChI=1S/C20H17NO4/c1-12-15-8-17-18(25-11-24-17)9-16(15)21-13(2)19(12)20(22)23-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyJMPIQNOZEHIAEW-UHFFFAOYSA-N
XLogP3.94
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The IUPAC name of benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (CID 30333547) is benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.
What is the SMILES notation for benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The canonical SMILES for benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is Cc1nc2cc3c(cc2c(C)c1C(=O)OCc1ccccc1)OCO3.
What is the InChIKey of benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The InChIKey is JMPIQNOZEHIAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-12-15-8-17-18(25-11-24-17)9-16(15)21-13(2)19(12)20(22)23-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3.
What are the key properties of benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is sourced from PubChem (CID 30333547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).