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

C15H19NO4 — CID 22391063

IUPACethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate
SMILESCCOC(=O)CC1=C(O)c2c(C)cccc2N(C)C1O
InChIInChI=1S/C15H19NO4/c1-4-20-12(17)8-10-14(18)13-9(2)6-5-7-11(13)16(3)15(10)19/h5-7,15,18-19H,4,8H2,1-3H3
InChIKeyHGHHQBLJXQVOIG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.99
Rot. Bonds3

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

ethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate (PubChem CID 22391063) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate
PubChem CID22391063
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate
SMILESCCOC(=O)CC1=C(O)c2c(C)cccc2N(C)C1O
InChIInChI=1S/C15H19NO4/c1-4-20-12(17)8-10-14(18)13-9(2)6-5-7-11(13)16(3)15(10)19/h5-7,15,18-19H,4,8H2,1-3H3
InChIKeyHGHHQBLJXQVOIG-UHFFFAOYSA-N
XLogP1.99
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate?
The IUPAC name of ethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate (CID 22391063) is ethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate is CCOC(=O)CC1=C(O)c2c(C)cccc2N(C)C1O.
What is the InChIKey of ethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate?
The InChIKey is HGHHQBLJXQVOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-20-12(17)8-10-14(18)13-9(2)6-5-7-11(13)16(3)15(10)19/h5-7,15,18-19H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate?
ethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate has a molecular weight of 277.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dihydroxy-1,5-dimethyl-2H-quinolin-3-yl)acetate is sourced from PubChem (CID 22391063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).