[2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid

C19H23ClN4O3 — CID 87283516

IUPAC[2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
SMILESNC(CN(CC=O)C(=O)O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1
InChIInChI=1S/C19H23ClN4O3/c20-15-3-1-2-14-4-5-17(22-18(14)15)23-8-6-13(7-9-23)16(21)12-24(10-11-25)19(26)27/h1-5,11,13,16H,6-10,12,21H2,(H,26,27)
InChIKeyJHRQELWYRFRGPM-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.61
Rot. Bonds6

About [2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid

[2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid (PubChem CID 87283516) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is [2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid.

Molecular Properties

Compound Name[2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
PubChem CID87283516
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name[2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
SMILESNC(CN(CC=O)C(=O)O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1
InChIInChI=1S/C19H23ClN4O3/c20-15-3-1-2-14-4-5-17(22-18(14)15)23-8-6-13(7-9-23)16(21)12-24(10-11-25)19(26)27/h1-5,11,13,16H,6-10,12,21H2,(H,26,27)
InChIKeyJHRQELWYRFRGPM-UHFFFAOYSA-N
XLogP2.61
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The IUPAC name of [2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid (CID 87283516) is [2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid.
What is the SMILES notation for [2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The canonical SMILES for [2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid is NC(CN(CC=O)C(=O)O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1.
What is the InChIKey of [2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The InChIKey is JHRQELWYRFRGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c20-15-3-1-2-14-4-5-17(22-18(14)15)23-8-6-13(7-9-23)16(21)12-24(10-11-25)19(26)27/h1-5,11,13,16H,6-10,12,21H2,(H,26,27).
What are the key properties of [2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
[2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid has a molecular weight of 390.87 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid is sourced from PubChem (CID 87283516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).