6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid

C18H20N2O4 — CID 164533139

IUPAC6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CCC4(CC3)OCCCO4)cc12
InChIInChI=1S/C18H20N2O4/c21-17(22)14-4-7-19-16-3-2-13(12-15(14)16)20-8-5-18(6-9-20)23-10-1-11-24-18/h2-4,7,12H,1,5-6,8-11H2,(H,21,22)
InChIKeyGHAQJZWOKALTCW-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.67
Rot. Bonds2

About 6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid

6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid (PubChem CID 164533139) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
PubChem CID164533139
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CCC4(CC3)OCCCO4)cc12
InChIInChI=1S/C18H20N2O4/c21-17(22)14-4-7-19-16-3-2-13(12-15(14)16)20-8-5-18(6-9-20)23-10-1-11-24-18/h2-4,7,12H,1,5-6,8-11H2,(H,21,22)
InChIKeyGHAQJZWOKALTCW-UHFFFAOYSA-N
XLogP2.67
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid (CID 164533139) is 6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc(N3CCC4(CC3)OCCCO4)cc12.
What is the InChIKey of 6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid?
The InChIKey is GHAQJZWOKALTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(22)14-4-7-19-16-3-2-13(12-15(14)16)20-8-5-18(6-9-20)23-10-1-11-24-18/h2-4,7,12H,1,5-6,8-11H2,(H,21,22).
What are the key properties of 6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid?
6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 164533139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).