1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid

C15H17NO4 — CID 82248172

IUPAC1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc(=O)c2cccc(OC(C)C)c21
InChIInChI=1S/C15H17NO4/c1-4-16-11(15(18)19)8-12(17)10-6-5-7-13(14(10)16)20-9(2)3/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyYCKKIKLSIDWWKR-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.51
Rot. Bonds4

About 1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid

1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid (PubChem CID 82248172) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid
PubChem CID82248172
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc(=O)c2cccc(OC(C)C)c21
InChIInChI=1S/C15H17NO4/c1-4-16-11(15(18)19)8-12(17)10-6-5-7-13(14(10)16)20-9(2)3/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyYCKKIKLSIDWWKR-UHFFFAOYSA-N
XLogP2.51
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246534
1-butan-2-yl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246537
1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid
CID 82244120
1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529
1-butan-2-yl-4-oxoquinoline-2-carboxylic acid
CID 82244126
1,3,7-triethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 50742578
1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518280
7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82249284
1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone
CID 83918556
1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid
CID 2801572
2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid
CID 66487386
ethyl 1-ethyl-4-oxoquinoline-2-carboxylate
CID 13223148

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid (CID 82248172) is 1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid is CCn1c(C(=O)O)cc(=O)c2cccc(OC(C)C)c21.
What is the InChIKey of 1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid?
The InChIKey is YCKKIKLSIDWWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-16-11(15(18)19)8-12(17)10-6-5-7-13(14(10)16)20-9(2)3/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of 1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid?
1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid is sourced from PubChem (CID 82248172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).