ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate

C17H17NO3 — CID 156872799

IUPACethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate
SMILESC=Cc1cnc2c(OC3CC3)cc(C(=O)OCC)cc2c1
InChIInChI=1S/C17H17NO3/c1-3-11-7-12-8-13(17(19)20-4-2)9-15(16(12)18-10-11)21-14-5-6-14/h3,7-10,14H,1,4-6H2,2H3
InChIKeyYCLSYQFMUJXACN-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.60
Rot. Bonds5

About ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate

ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate (PubChem CID 156872799) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate
PubChem CID156872799
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate
SMILESC=Cc1cnc2c(OC3CC3)cc(C(=O)OCC)cc2c1
InChIInChI=1S/C17H17NO3/c1-3-11-7-12-8-13(17(19)20-4-2)9-15(16(12)18-10-11)21-14-5-6-14/h3,7-10,14H,1,4-6H2,2H3
InChIKeyYCLSYQFMUJXACN-UHFFFAOYSA-N
XLogP3.60
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-8-methoxyquinoline-6-carboxylate
CID 156872720
8-cyclopropyloxy-3,6-dimethylquinoline;formic acid
CID 156896216
ethyl 3,5-dicyclopropyloxybenzoate
CID 156633394
ethyl 8-ethoxyquinoline-3-carboxylate
CID 122362443
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678
3-chloro-8-cyclopropyloxy-6-methylquinoline
CID 156872367
ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate
CID 129247870
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate
CID 169260890
ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate
CID 22145804
ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578

Frequently Asked Questions

What is the IUPAC name of ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate?
The IUPAC name of ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate (CID 156872799) is ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate?
The canonical SMILES for ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate is C=Cc1cnc2c(OC3CC3)cc(C(=O)OCC)cc2c1.
What is the InChIKey of ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate?
The InChIKey is YCLSYQFMUJXACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-11-7-12-8-13(17(19)20-4-2)9-15(16(12)18-10-11)21-14-5-6-14/h3,7-10,14H,1,4-6H2,2H3.
What are the key properties of ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate?
ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate is sourced from PubChem (CID 156872799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).