cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

C20H23NO5 — CID 143573658

IUPACcyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCn1cc(C(=O)OCC2CCCCC2)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C20H23NO5/c1-2-21-10-15(20(23)24-11-13-6-4-3-5-7-13)19(22)14-8-17-18(9-16(14)21)26-12-25-17/h8-10,13H,2-7,11-12H2,1H3
InChIKeyVPMNJDVGMCMNIQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.49
Rot. Bonds4

About cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (PubChem CID 143573658) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
PubChem CID143573658
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namecyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCn1cc(C(=O)OCC2CCCCC2)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C20H23NO5/c1-2-21-10-15(20(23)24-11-13-6-4-3-5-7-13)19(22)14-8-17-18(9-16(14)21)26-12-25-17/h8-10,13H,2-7,11-12H2,1H3
InChIKeyVPMNJDVGMCMNIQ-UHFFFAOYSA-N
XLogP3.49
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 14852082
2-morpholin-4-ylethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 15048132
methyl 2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoate
CID 78595997
3-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoic acid
CID 8022644
ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 171845228
5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
CID 41010066
methyl (2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-phenylpropanoate
CID 56698811
ethyl 8-oxo-5-(1-oxobutan-2-ylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 88719613
methyl 4-(5-ethyl-[1,3]dioxolo[4,5-f]indol-7-yl)-2,4-dioxobutanoate
CID 11347659
5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 142567545
N-(1,3-benzodioxol-5-ylmethyl)-6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859318
ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
CID 141190210

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The IUPAC name of cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (CID 143573658) is cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.
What is the SMILES notation for cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The canonical SMILES for cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is CCn1cc(C(=O)OCC2CCCCC2)c(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The InChIKey is VPMNJDVGMCMNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-2-21-10-15(20(23)24-11-13-6-4-3-5-7-13)19(22)14-8-17-18(9-16(14)21)26-12-25-17/h8-10,13H,2-7,11-12H2,1H3.
What are the key properties of cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is sourced from PubChem (CID 143573658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).