3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid

C15H17NO5 — CID 79591696

IUPAC3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid
SMILESCCOCC(O)COc1cnc2ccccc2c1C(=O)O
InChIInChI=1S/C15H17NO5/c1-2-20-8-10(17)9-21-13-7-16-12-6-4-3-5-11(12)14(13)15(18)19/h3-7,10,17H,2,8-9H2,1H3,(H,18,19)
InChIKeyNANHZPPTDIJHCU-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.71
Rot. Bonds7

About 3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid

3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid (PubChem CID 79591696) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid
PubChem CID79591696
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid
SMILESCCOCC(O)COc1cnc2ccccc2c1C(=O)O
InChIInChI=1S/C15H17NO5/c1-2-20-8-10(17)9-21-13-7-16-12-6-4-3-5-11(12)14(13)15(18)19/h3-7,10,17H,2,8-9H2,1H3,(H,18,19)
InChIKeyNANHZPPTDIJHCU-UHFFFAOYSA-N
XLogP1.71
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-pentoxyquinoline-4-carboxylic acid
CID 79593988
3-butan-2-yloxyquinoline-4-carboxylic acid
CID 79594936
3-(2-ethyl-2-hydroxybutoxy)quinoline-4-carboxylic acid
CID 114491348
3-(3,3-dimethylbutoxy)quinoline-4-carboxylic acid
CID 79593820
3-(3-fluoropropoxy)quinoline-4-carboxylic acid
CID 81106756
3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid
CID 79591700
3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid
CID 79591735
3-chloroquinoline-4-carboxylic acid
CID 22158738
3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid
CID 79591959
3-chloro-4-(3-ethoxy-2-hydroxypropoxy)benzoic acid
CID 63934576
N-butan-2-yl-3-methoxyquinoline-4-carboxamide
CID 110848533
1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 63931772

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid?
The IUPAC name of 3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid (CID 79591696) is 3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid?
The canonical SMILES for 3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid is CCOCC(O)COc1cnc2ccccc2c1C(=O)O.
What is the InChIKey of 3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid?
The InChIKey is NANHZPPTDIJHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-2-20-8-10(17)9-21-13-7-16-12-6-4-3-5-11(12)14(13)15(18)19/h3-7,10,17H,2,8-9H2,1H3,(H,18,19).
What are the key properties of 3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid?
3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid is sourced from PubChem (CID 79591696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).