N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide

C16H20N4O — CID 18414144

IUPACN,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCNCC2)c2ncccc2c1
InChIInChI=1S/C16H20N4O/c1-19(2)16(21)13-10-12-4-3-5-18-15(12)14(11-13)20-8-6-17-7-9-20/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyDYQKYOAPSPOWDY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.35
Rot. Bonds2

About N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide

N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide (PubChem CID 18414144) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide
PubChem CID18414144
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCNCC2)c2ncccc2c1
InChIInChI=1S/C16H20N4O/c1-19(2)16(21)13-10-12-4-3-5-18-15(12)14(11-13)20-8-6-17-7-9-20/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyDYQKYOAPSPOWDY-UHFFFAOYSA-N
XLogP1.35
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide?
The IUPAC name of N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide (CID 18414144) is N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide?
The canonical SMILES for N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide is CN(C)C(=O)c1cc(N2CCNCC2)c2ncccc2c1.
What is the InChIKey of N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide?
The InChIKey is DYQKYOAPSPOWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19(2)16(21)13-10-12-4-3-5-18-15(12)14(11-13)20-8-6-17-7-9-20/h3-5,10-11,17H,6-9H2,1-2H3.
What are the key properties of N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide?
N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide is sourced from PubChem (CID 18414144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).