[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid

C18H20N4O3 — CID 66843618

IUPAC[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESN#Cc1ccc2ccc(=O)n(CCN3CCC(NC(=O)O)CC3)c2c1
InChIInChI=1S/C18H20N4O3/c19-12-13-1-2-14-3-4-17(23)22(16(14)11-13)10-9-21-7-5-15(6-8-21)20-18(24)25/h1-4,11,15,20H,5-10H2,(H,24,25)
InChIKeyKFFGYVAFOMCYKD-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.61
Rot. Bonds4

About [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid

[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 66843618) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID66843618
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESN#Cc1ccc2ccc(=O)n(CCN3CCC(NC(=O)O)CC3)c2c1
InChIInChI=1S/C18H20N4O3/c19-12-13-1-2-14-3-4-17(23)22(16(14)11-13)10-9-21-7-5-15(6-8-21)20-18(24)25/h1-4,11,15,20H,5-10H2,(H,24,25)
InChIKeyKFFGYVAFOMCYKD-UHFFFAOYSA-N
XLogP1.61
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid (CID 66843618) is [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid is N#Cc1ccc2ccc(=O)n(CCN3CCC(NC(=O)O)CC3)c2c1.
What is the InChIKey of [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is KFFGYVAFOMCYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-12-13-1-2-14-3-4-17(23)22(16(14)11-13)10-9-21-7-5-15(6-8-21)20-18(24)25/h1-4,11,15,20H,5-10H2,(H,24,25).
What are the key properties of [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 340.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66843618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).