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

C17H23NO4 — CID 22391079

IUPACethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate
SMILESCCCN1c2cccc(C)c2C(O)=C(CC(=O)OCC)C1O
InChIInChI=1S/C17H23NO4/c1-4-9-18-13-8-6-7-11(3)15(13)16(20)12(17(18)21)10-14(19)22-5-2/h6-8,17,20-21H,4-5,9-10H2,1-3H3
InChIKeyRUUZPBABOIMCEY-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.77
Rot. Bonds5

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

ethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate (PubChem CID 22391079) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate
PubChem CID22391079
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate
SMILESCCCN1c2cccc(C)c2C(O)=C(CC(=O)OCC)C1O
InChIInChI=1S/C17H23NO4/c1-4-9-18-13-8-6-7-11(3)15(13)16(20)12(17(18)21)10-14(19)22-5-2/h6-8,17,20-21H,4-5,9-10H2,1-3H3
InChIKeyRUUZPBABOIMCEY-UHFFFAOYSA-N
XLogP2.77
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.77
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-5-methyl-1-propyl-2H-quinolin-3-yl)acetate?
The IUPAC name of ethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate (CID 22391079) is ethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate is CCCN1c2cccc(C)c2C(O)=C(CC(=O)OCC)C1O.
What is the InChIKey of ethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate?
The InChIKey is RUUZPBABOIMCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-4-9-18-13-8-6-7-11(3)15(13)16(20)12(17(18)21)10-14(19)22-5-2/h6-8,17,20-21H,4-5,9-10H2,1-3H3.
What are the key properties of ethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate?
ethyl 2-(2,4-dihydroxy-5-methyl-1-propyl-2H-quinolin-3-yl)acetate has a molecular weight of 305.37 g/mol, XLogP of 2.77, 5 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-5-methyl-1-propyl-2H-quinolin-3-yl)acetate is sourced from PubChem (CID 22391079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).