2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

C19H19ClN2O4 — CID 139598613

IUPAC2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2c(Cl)ccc3ncccc23)CC12CCOCC2
InChIInChI=1S/C19H19ClN2O4/c20-14-3-4-15-12(2-1-7-21-15)16(14)17(23)22-10-13(18(24)25)19(11-22)5-8-26-9-6-19/h1-4,7,13H,5-6,8-11H2,(H,24,25)
InChIKeyUXWYVUCHLAMIPM-UHFFFAOYSA-N
MW374.82 g/mol
LogP2.84
Rot. Bonds2

About 2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 139598613) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID139598613
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2c(Cl)ccc3ncccc23)CC12CCOCC2
InChIInChI=1S/C19H19ClN2O4/c20-14-3-4-15-12(2-1-7-21-15)16(14)17(23)22-10-13(18(24)25)19(11-22)5-8-26-9-6-19/h1-4,7,13H,5-6,8-11H2,(H,24,25)
InChIKeyUXWYVUCHLAMIPM-UHFFFAOYSA-N
XLogP2.84
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (CID 139598613) is 2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is O=C(O)C1CN(C(=O)c2c(Cl)ccc3ncccc23)CC12CCOCC2.
What is the InChIKey of 2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is UXWYVUCHLAMIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c20-14-3-4-15-12(2-1-7-21-15)16(14)17(23)22-10-13(18(24)25)19(11-22)5-8-26-9-6-19/h1-4,7,13H,5-6,8-11H2,(H,24,25).
What are the key properties of 2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 374.82 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 139598613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).