ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate

C16H21NO4 — CID 22391075

IUPACethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate
SMILESCCOC(=O)CC1=C(O)c2c(C)cccc2N(CC)C1O
InChIInChI=1S/C16H21NO4/c1-4-17-12-8-6-7-10(3)14(12)15(19)11(16(17)20)9-13(18)21-5-2/h6-8,16,19-20H,4-5,9H2,1-3H3
InChIKeyDBSGJVASUYMSHN-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.38
Rot. Bonds4

About ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate

ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate (PubChem CID 22391075) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate
PubChem CID22391075
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nameethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate
SMILESCCOC(=O)CC1=C(O)c2c(C)cccc2N(CC)C1O
InChIInChI=1S/C16H21NO4/c1-4-17-12-8-6-7-10(3)14(12)15(19)11(16(17)20)9-13(18)21-5-2/h6-8,16,19-20H,4-5,9H2,1-3H3
InChIKeyDBSGJVASUYMSHN-UHFFFAOYSA-N
XLogP2.38
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate?
The IUPAC name of ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate (CID 22391075) is ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate is CCOC(=O)CC1=C(O)c2c(C)cccc2N(CC)C1O.
What is the InChIKey of ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate?
The InChIKey is DBSGJVASUYMSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-4-17-12-8-6-7-10(3)14(12)15(19)11(16(17)20)9-13(18)21-5-2/h6-8,16,19-20H,4-5,9H2,1-3H3.
What are the key properties of ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate?
ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate has a molecular weight of 291.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethyl-2,4-dihydroxy-5-methyl-2H-quinolin-3-yl)acetate is sourced from PubChem (CID 22391075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).