[7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid

C19H22ClN3O2 — CID 68761021

IUPAC[7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid
SMILESO=C(O)NCC1CC2(CCN(c3ccc4cc(Cl)ccc4n3)CC2)C1
InChIInChI=1S/C19H22ClN3O2/c20-15-2-3-16-14(9-15)1-4-17(22-16)23-7-5-19(6-8-23)10-13(11-19)12-21-18(24)25/h1-4,9,13,21H,5-8,10-12H2,(H,24,25)
InChIKeyYDXGWEIAMDECPY-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.15
Rot. Bonds3

About [7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid

[7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid (PubChem CID 68761021) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid
PubChem CID68761021
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid
SMILESO=C(O)NCC1CC2(CCN(c3ccc4cc(Cl)ccc4n3)CC2)C1
InChIInChI=1S/C19H22ClN3O2/c20-15-2-3-16-14(9-15)1-4-17(22-16)23-7-5-19(6-8-23)10-13(11-19)12-21-18(24)25/h1-4,9,13,21H,5-8,10-12H2,(H,24,25)
InChIKeyYDXGWEIAMDECPY-UHFFFAOYSA-N
XLogP4.15
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid?
The IUPAC name of [7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid (CID 68761021) is [7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid.
What is the SMILES notation for [7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid?
The canonical SMILES for [7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid is O=C(O)NCC1CC2(CCN(c3ccc4cc(Cl)ccc4n3)CC2)C1.
What is the InChIKey of [7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid?
The InChIKey is YDXGWEIAMDECPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-15-2-3-16-14(9-15)1-4-17(22-16)23-7-5-19(6-8-23)10-13(11-19)12-21-18(24)25/h1-4,9,13,21H,5-8,10-12H2,(H,24,25).
What are the key properties of [7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid?
[7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid has a molecular weight of 359.86 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid is sourced from PubChem (CID 68761021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).