8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine

C18H25ClN4 — CID 20922978

IUPAC8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine
SMILESCCC1CCCCN1CCCNc1cnnc2c(Cl)cccc12
InChIInChI=1S/C18H25ClN4/c1-2-14-7-3-4-11-23(14)12-6-10-20-17-13-21-22-18-15(17)8-5-9-16(18)19/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H,20,22)
InChIKeyFTXVQYSOBNAUKI-UHFFFAOYSA-N
MW332.88 g/mol
LogP4.35
Rot. Bonds6

About 8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine

8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine (PubChem CID 20922978) has the molecular formula C18H25ClN4 and a molecular weight of 332.88 g/mol. Its IUPAC name is 8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine
PubChem CID20922978
Molecular FormulaC18H25ClN4
Molecular Weight332.88 g/mol
Exact Mass332.18
IUPAC Name8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine
SMILESCCC1CCCCN1CCCNc1cnnc2c(Cl)cccc12
InChIInChI=1S/C18H25ClN4/c1-2-14-7-3-4-11-23(14)12-6-10-20-17-13-21-22-18-15(17)8-5-9-16(18)19/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H,20,22)
InChIKeyFTXVQYSOBNAUKI-UHFFFAOYSA-N
XLogP4.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine?
The IUPAC name of 8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine (CID 20922978) is 8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine.
What is the SMILES notation for 8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine?
The canonical SMILES for 8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine is CCC1CCCCN1CCCNc1cnnc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine?
The InChIKey is FTXVQYSOBNAUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4/c1-2-14-7-3-4-11-23(14)12-6-10-20-17-13-21-22-18-15(17)8-5-9-16(18)19/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H,20,22).
What are the key properties of 8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine?
8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine has a molecular weight of 332.88 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]cinnolin-4-amine is sourced from PubChem (CID 20922978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).