3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate

C17H19NO4 — CID 118721183

IUPAC3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate
SMILESCOc1cc(C(=O)OCC=C(C)C)nc2c(OC)cccc12
InChIInChI=1S/C17H19NO4/c1-11(2)8-9-22-17(19)13-10-15(21-4)12-6-5-7-14(20-3)16(12)18-13/h5-8,10H,9H2,1-4H3
InChIKeyQPFBNANNLDTYOT-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.38
Rot. Bonds5

About 3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate

3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate (PubChem CID 118721183) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate.

Molecular Properties

Compound Name3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate
PubChem CID118721183
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate
SMILESCOc1cc(C(=O)OCC=C(C)C)nc2c(OC)cccc12
InChIInChI=1S/C17H19NO4/c1-11(2)8-9-22-17(19)13-10-15(21-4)12-6-5-7-14(20-3)16(12)18-13/h5-8,10H,9H2,1-4H3
InChIKeyQPFBNANNLDTYOT-UHFFFAOYSA-N
XLogP3.38
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Benzoxiquine
CID 6855
8-Hydroxyquinaldic acid
CID 74079
4-Methoxy-2-quinolinecarboxylic acid
CID 594596
Ethyl 6-methoxy-2-methylquinoline-3-carboxylate
CID 618636
3-Methylbut-2-enyl 4-methoxy-8-(3-methylbut-2-enoxy)quinoline-2-carboxylate
CID 46910769
8-Methoxy-2-phenylquinoline-4-carboxylic acid
CID 707375
3-Methylbut-2-enyl 4,8-bis(3-methylbut-2-enoxy)quinoline-2-carboxylate
CID 73602831
[2-(2-Methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2343068
4-Methoxy-6-nitroquinoline-2-carboxylic acid
CID 676850
4-[4-(Quinolin-2-ylmethoxy)-phenoxy]-butyric acid ethyl ester
CID 9951001
3-Methylidene-5-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyloxolan-2-one
CID 10246967
2-(3-(3-(Quinolin-2-ylmethoxy)phenyl)acryloyl)benzoic acid
CID 10597634

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate?
The IUPAC name of 3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate (CID 118721183) is 3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate.
What is the SMILES notation for 3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate?
The canonical SMILES for 3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate is COc1cc(C(=O)OCC=C(C)C)nc2c(OC)cccc12.
What is the InChIKey of 3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate?
The InChIKey is QPFBNANNLDTYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11(2)8-9-22-17(19)13-10-15(21-4)12-6-5-7-14(20-3)16(12)18-13/h5-8,10H,9H2,1-4H3.
What are the key properties of 3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate?
3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enyl 4,8-dimethoxyquinoline-2-carboxylate is sourced from PubChem (CID 118721183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).