ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate

C29H26N2O4 — CID 70105754

IUPACethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate
SMILESCCOC(=O)c1ccccc1CN1C(=O)CCc2cc(OCc3ccc4ccccc4n3)ccc21
InChIInChI=1S/C29H26N2O4/c1-2-34-29(33)25-9-5-3-8-22(25)18-31-27-15-14-24(17-21(27)12-16-28(31)32)35-19-23-13-11-20-7-4-6-10-26(20)30-23/h3-11,13-15,17H,2,12,16,18-19H2,1H3
InChIKeySJKUMJBOBZWGKG-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.47
Rot. Bonds7

About ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate

ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate (PubChem CID 70105754) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate
PubChem CID70105754
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Nameethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate
SMILESCCOC(=O)c1ccccc1CN1C(=O)CCc2cc(OCc3ccc4ccccc4n3)ccc21
InChIInChI=1S/C29H26N2O4/c1-2-34-29(33)25-9-5-3-8-22(25)18-31-27-15-14-24(17-21(27)12-16-28(31)32)35-19-23-13-11-20-7-4-6-10-26(20)30-23/h3-11,13-15,17H,2,12,16,18-19H2,1H3
InChIKeySJKUMJBOBZWGKG-UHFFFAOYSA-N
XLogP5.47
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate with MolForge

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Related Compounds

ethyl 2-[[6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzoate
CID 70105631
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate
CID 68576822
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 43446579
ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 22241520
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 22241449
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate?
The IUPAC name of ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate (CID 70105754) is ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate.
What is the SMILES notation for ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate?
The canonical SMILES for ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate is CCOC(=O)c1ccccc1CN1C(=O)CCc2cc(OCc3ccc4ccccc4n3)ccc21.
What is the InChIKey of ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate?
The InChIKey is SJKUMJBOBZWGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-2-34-29(33)25-9-5-3-8-22(25)18-31-27-15-14-24(17-21(27)12-16-28(31)32)35-19-23-13-11-20-7-4-6-10-26(20)30-23/h3-11,13-15,17H,2,12,16,18-19H2,1H3.
What are the key properties of ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate?
ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate has a molecular weight of 466.54 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-6-(quinolin-2-ylmethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoate is sourced from PubChem (CID 70105754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).