3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one

C19H19FN6O2 — CID 166363209

IUPAC3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
SMILESCc1c(C(=O)N2CC(CN)Cc3cc(F)ccc32)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C19H19FN6O2/c1-11-15(9-22-26(11)17-4-5-18(27)24-23-17)19(28)25-10-12(8-21)6-13-7-14(20)2-3-16(13)25/h2-5,7,9,12H,6,8,10,21H2,1H3,(H,24,27)
InChIKeyPYNKSEPGOYMHPH-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.18
Rot. Bonds3

About 3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one

3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one (PubChem CID 166363209) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
PubChem CID166363209
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
SMILESCc1c(C(=O)N2CC(CN)Cc3cc(F)ccc32)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C19H19FN6O2/c1-11-15(9-22-26(11)17-4-5-18(27)24-23-17)19(28)25-10-12(8-21)6-13-7-14(20)2-3-16(13)25/h2-5,7,9,12H,6,8,10,21H2,1H3,(H,24,27)
InChIKeyPYNKSEPGOYMHPH-UHFFFAOYSA-N
XLogP1.18
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-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 3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one (CID 166363209) is 3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one is Cc1c(C(=O)N2CC(CN)Cc3cc(F)ccc32)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The InChIKey is PYNKSEPGOYMHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-11-15(9-22-26(11)17-4-5-18(27)24-23-17)19(28)25-10-12(8-21)6-13-7-14(20)2-3-16(13)25/h2-5,7,9,12H,6,8,10,21H2,1H3,(H,24,27).
What are the key properties of 3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one has a molecular weight of 382.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 166363209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).