ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate

C16H17NO3 — CID 176989002

IUPACethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate
SMILESC=C(C)c1ccc2cc(C(=O)OCC)c(OC)nc2c1
InChIInChI=1S/C16H17NO3/c1-5-20-16(18)13-8-12-7-6-11(10(2)3)9-14(12)17-15(13)19-4/h6-9H,2,5H2,1,3-4H3
InChIKeyJBWLIVABFPQOKT-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.45
Rot. Bonds4

About ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate

ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate (PubChem CID 176989002) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate
PubChem CID176989002
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate
SMILESC=C(C)c1ccc2cc(C(=O)OCC)c(OC)nc2c1
InChIInChI=1S/C16H17NO3/c1-5-20-16(18)13-8-12-7-6-11(10(2)3)9-14(12)17-15(13)19-4/h6-9H,2,5H2,1,3-4H3
InChIKeyJBWLIVABFPQOKT-UHFFFAOYSA-N
XLogP3.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloroquinoline-7-carboxylate
CID 72942632
2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
CID 134910532
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55473337
2,3-dimethoxyquinoline-7-carboxylic acid
CID 67754459
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate
CID 119054863
(3-ethyl-2-methoxyquinolin-7-yl)-phenylmethanone
CID 59393104
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate
CID 164899920
ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate
CID 176908691

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate (CID 176989002) is ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate is C=C(C)c1ccc2cc(C(=O)OCC)c(OC)nc2c1.
What is the InChIKey of ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate?
The InChIKey is JBWLIVABFPQOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-5-20-16(18)13-8-12-7-6-11(10(2)3)9-14(12)17-15(13)19-4/h6-9H,2,5H2,1,3-4H3.
What are the key properties of ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate?
ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-7-prop-1-en-2-ylquinoline-3-carboxylate is sourced from PubChem (CID 176989002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).