4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile

C17H20N4O2 — CID 154553565

IUPAC4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile
SMILESN#CC1(CCn2c(=O)cc(N)c3ccc(O)cc32)CCNCC1
InChIInChI=1S/C17H20N4O2/c18-11-17(3-6-20-7-4-17)5-8-21-15-9-12(22)1-2-13(15)14(19)10-16(21)23/h1-2,9-10,20,22H,3-8,19H2
InChIKeyCFTZLMCVMNDNGS-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.57
Rot. Bonds3

About 4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile

4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile (PubChem CID 154553565) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile
PubChem CID154553565
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile
SMILESN#CC1(CCn2c(=O)cc(N)c3ccc(O)cc32)CCNCC1
InChIInChI=1S/C17H20N4O2/c18-11-17(3-6-20-7-4-17)5-8-21-15-9-12(22)1-2-13(15)14(19)10-16(21)23/h1-2,9-10,20,22H,3-8,19H2
InChIKeyCFTZLMCVMNDNGS-UHFFFAOYSA-N
XLogP1.57
TPSA104.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile (CID 154553565) is 4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile is N#CC1(CCn2c(=O)cc(N)c3ccc(O)cc32)CCNCC1.
What is the InChIKey of 4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile?
The InChIKey is CFTZLMCVMNDNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-11-17(3-6-20-7-4-17)5-8-21-15-9-12(22)1-2-13(15)14(19)10-16(21)23/h1-2,9-10,20,22H,3-8,19H2.
What are the key properties of 4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile?
4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 154553565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).