ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate

C18H21NO4 — CID 70127148

IUPACethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate
SMILESCCOC(=O)C(=Cc1cnc2ccc(OCOC)cc2c1)CC
InChIInChI=1S/C18H21NO4/c1-4-14(18(20)22-5-2)8-13-9-15-10-16(23-12-21-3)6-7-17(15)19-11-13/h6-11H,4-5,12H2,1-3H3
InChIKeyITGLOWANNJMGSQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.57
Rot. Bonds7

About ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate

ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate (PubChem CID 70127148) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate.

Molecular Properties

Compound Nameethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate
PubChem CID70127148
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Nameethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate
SMILESCCOC(=O)C(=Cc1cnc2ccc(OCOC)cc2c1)CC
InChIInChI=1S/C18H21NO4/c1-4-14(18(20)22-5-2)8-13-9-15-10-16(23-12-21-3)6-7-17(15)19-11-13/h6-11H,4-5,12H2,1-3H3
InChIKeyITGLOWANNJMGSQ-UHFFFAOYSA-N
XLogP3.57
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]methylidene]butanoate
CID 91108866
ethyl (2E)-2-[(3-phenylmethoxyphenyl)methylidene]butanoate
CID 59590524
ethyl 2-[(4-chlorophenyl)methylidene]butanoate
CID 67451347
ethyl (E)-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(methoxymethoxy)phenyl]-2-methylprop-2-enoate
CID 131738687
ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate
CID 91319717
ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate
CID 18637046
ethyl 4-[3-(methoxymethoxy)phenyl]butanoate
CID 23074340
6-ethoxy-3-fluoroquinoline
CID 90101959
ethyl (2E)-2-[(2-formylphenyl)methylidene]butanoate
CID 57427552
ethyl (2E)-2-[(4-nitrophenyl)methylidene]butanoate
CID 134855129
ethyl 4-[3-(methoxymethoxy)phenyl]-4-oxobutanoate
CID 175964150
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate?
The IUPAC name of ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate (CID 70127148) is ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate.
What is the SMILES notation for ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate?
The canonical SMILES for ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate is CCOC(=O)C(=Cc1cnc2ccc(OCOC)cc2c1)CC.
What is the InChIKey of ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate?
The InChIKey is ITGLOWANNJMGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-14(18(20)22-5-2)8-13-9-15-10-16(23-12-21-3)6-7-17(15)19-11-13/h6-11H,4-5,12H2,1-3H3.
What are the key properties of ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate?
ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate has a molecular weight of 315.37 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate is sourced from PubChem (CID 70127148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).