1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one

C14H15FN4O — CID 63316195

IUPAC1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one
SMILESNc1ccn(CCN2C(=O)CCc3cc(F)ccc32)n1
InChIInChI=1S/C14H15FN4O/c15-11-2-3-12-10(9-11)1-4-14(20)19(12)8-7-18-6-5-13(16)17-18/h2-3,5-6,9H,1,4,7-8H2,(H2,16,17)
InChIKeyXPCBANYTVIPBGO-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.58
Rot. Bonds3

About 1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one

1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one (PubChem CID 63316195) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one
PubChem CID63316195
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one
SMILESNc1ccn(CCN2C(=O)CCc3cc(F)ccc32)n1
InChIInChI=1S/C14H15FN4O/c15-11-2-3-12-10(9-11)1-4-14(20)19(12)8-7-18-6-5-13(16)17-18/h2-3,5-6,9H,1,4,7-8H2,(H2,16,17)
InChIKeyXPCBANYTVIPBGO-UHFFFAOYSA-N
XLogP1.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one (CID 63316195) is 1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one is Nc1ccn(CCN2C(=O)CCc3cc(F)ccc32)n1.
What is the InChIKey of 1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The InChIKey is XPCBANYTVIPBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-11-2-3-12-10(9-11)1-4-14(20)19(12)8-7-18-6-5-13(16)17-18/h2-3,5-6,9H,1,4,7-8H2,(H2,16,17).
What are the key properties of 1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one?
1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one has a molecular weight of 274.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63316195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).