ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate

C15H17NO5 — CID 67350300

IUPACethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate
SMILESCCOC(=O)c1ccc([C@H](O)CO)c2nc(OC)ccc12
InChIInChI=1S/C15H17NO5/c1-3-21-15(19)10-4-5-11(12(18)8-17)14-9(10)6-7-13(16-14)20-2/h4-7,12,17-18H,3,8H2,1-2H3/t12-/m1/s1
InChIKeyOHAQGQOUJKUVRK-GFCCVEGCSA-N
MW291.30 g/mol
LogP1.45
Rot. Bonds5

About ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate

ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate (PubChem CID 67350300) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate
PubChem CID67350300
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Nameethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate
SMILESCCOC(=O)c1ccc([C@H](O)CO)c2nc(OC)ccc12
InChIInChI=1S/C15H17NO5/c1-3-21-15(19)10-4-5-11(12(18)8-17)14-9(10)6-7-13(16-14)20-2/h4-7,12,17-18H,3,8H2,1-2H3/t12-/m1/s1
InChIKeyOHAQGQOUJKUVRK-GFCCVEGCSA-N
XLogP1.45
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate
CID 67366686
methyl 2-methoxy-8-methylquinoline-5-carboxylate
CID 86241626
ethyl (E)-3-[8-[2-[4-(ethylamino)piperidin-1-yl]-1-hydroxyethyl]-2-methoxyquinolin-5-yl]prop-2-enoate
CID 163857133
ethyl 3-chloro-6-methoxypyridine-2-carboxylate
CID 46311313
methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
CID 67364544
ethyl 2-(5-chloro-2-methoxyquinolin-6-yl)-2-oxoacetate
CID 117473809
methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate
CID 86241636
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate
CID 68631923
ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate
CID 68630515
ethyl 4-amino-2,3-diethoxybenzoate
CID 69259222
ethyl 2-[1-ethoxy-1,3-dioxo-3-(phenylmethoxyamino)propan-2-yl]-6-methoxypyridine-3-carboxylate
CID 138674232

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate?
The IUPAC name of ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate (CID 67350300) is ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate.
What is the SMILES notation for ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate?
The canonical SMILES for ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate is CCOC(=O)c1ccc([C@H](O)CO)c2nc(OC)ccc12.
What is the InChIKey of ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate?
The InChIKey is OHAQGQOUJKUVRK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17NO5/c1-3-21-15(19)10-4-5-11(12(18)8-17)14-9(10)6-7-13(16-14)20-2/h4-7,12,17-18H,3,8H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate?
ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate is sourced from PubChem (CID 67350300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).