4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide

C15H18FN5O — CID 3075598

IUPAC4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCCC2)nnc2c(F)cccc12
InChIInChI=1S/C15H18FN5O/c16-11-5-3-4-10-12(17)14(20-19-13(10)11)15(22)18-6-9-21-7-1-2-8-21/h3-5H,1-2,6-9H2,(H2,17,19)(H,18,22)
InChIKeyPVRZVPDBTZWUSL-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.18
Rot. Bonds4

About 4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide

4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide (PubChem CID 3075598) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
PubChem CID3075598
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCCC2)nnc2c(F)cccc12
InChIInChI=1S/C15H18FN5O/c16-11-5-3-4-10-12(17)14(20-19-13(10)11)15(22)18-6-9-21-7-1-2-8-21/h3-5H,1-2,6-9H2,(H2,17,19)(H,18,22)
InChIKeyPVRZVPDBTZWUSL-UHFFFAOYSA-N
XLogP1.18
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide (CID 3075598) is 4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide is Nc1c(C(=O)NCCN2CCCC2)nnc2c(F)cccc12.
What is the InChIKey of 4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide?
The InChIKey is PVRZVPDBTZWUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c16-11-5-3-4-10-12(17)14(20-19-13(10)11)15(22)18-6-9-21-7-1-2-8-21/h3-5H,1-2,6-9H2,(H2,17,19)(H,18,22).
What are the key properties of 4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide?
4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide is sourced from PubChem (CID 3075598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).