4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid

C16H19NO4 — CID 82250463

IUPAC4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid
SMILESCC(C)Oc1ccc2c(=O)c(C(=O)O)cn(C(C)C)c2c1
InChIInChI=1S/C16H19NO4/c1-9(2)17-8-13(16(19)20)15(18)12-6-5-11(7-14(12)17)21-10(3)4/h5-10H,1-4H3,(H,19,20)
InChIKeyJYZYIRADLKAJFE-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.07
Rot. Bonds4

About 4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid

4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid (PubChem CID 82250463) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid
PubChem CID82250463
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid
SMILESCC(C)Oc1ccc2c(=O)c(C(=O)O)cn(C(C)C)c2c1
InChIInChI=1S/C16H19NO4/c1-9(2)17-8-13(16(19)20)15(18)12-6-5-11(7-14(12)17)21-10(3)4/h5-10H,1-4H3,(H,19,20)
InChIKeyJYZYIRADLKAJFE-UHFFFAOYSA-N
XLogP3.07
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-[bis(2-chloroethyl)aminomethyl]phenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 53346320
ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 143904109
6-methylsulfonyl-1-propan-2-ylindole-3-carboxylic acid
CID 22497218
5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252234
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
8-bromo-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252685
6-[(E)-3-(2-hydroxyethoxy)prop-2-enyl]-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 143454777
3-(6-methoxy-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
CID 117122358
ethane;6-[(E)-3-(2-hydroxyethoxy)prop-2-enyl]-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 143454776
6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid
CID 14256753
1-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]ethanone
CID 117122110
[2-oxo-4,7-di(propan-2-yloxy)chromen-3-yl] acetate
CID 19929402

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid (CID 82250463) is 4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid is CC(C)Oc1ccc2c(=O)c(C(=O)O)cn(C(C)C)c2c1.
What is the InChIKey of 4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid?
The InChIKey is JYZYIRADLKAJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-9(2)17-8-13(16(19)20)15(18)12-6-5-11(7-14(12)17)21-10(3)4/h5-10H,1-4H3,(H,19,20).
What are the key properties of 4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid?
4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid is sourced from PubChem (CID 82250463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).