5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one

C23H22FN5O2 — CID 142494281

IUPAC5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one
SMILESCn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)cc2c(F)cc(-c3cn[nH]c3)cc21
InChIInChI=1S/C23H22FN5O2/c1-28-22-11-15(16-13-25-26-14-16)10-20(24)19(22)12-21(23(28)30)27-17-2-4-18(5-3-17)29-6-8-31-9-7-29/h2-5,10-14,27H,6-9H2,1H3,(H,25,26)
InChIKeyBFDAJJWPJISNQL-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.65
Rot. Bonds4

About 5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one

5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one (PubChem CID 142494281) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one
PubChem CID142494281
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one
SMILESCn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)cc2c(F)cc(-c3cn[nH]c3)cc21
InChIInChI=1S/C23H22FN5O2/c1-28-22-11-15(16-13-25-26-14-16)10-20(24)19(22)12-21(23(28)30)27-17-2-4-18(5-3-17)29-6-8-31-9-7-29/h2-5,10-14,27H,6-9H2,1H3,(H,25,26)
InChIKeyBFDAJJWPJISNQL-UHFFFAOYSA-N
XLogP3.65
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-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 5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one?
The IUPAC name of 5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one (CID 142494281) is 5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one.
What is the SMILES notation for 5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one?
The canonical SMILES for 5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one is Cn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)cc2c(F)cc(-c3cn[nH]c3)cc21.
What is the InChIKey of 5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one?
The InChIKey is BFDAJJWPJISNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-28-22-11-15(16-13-25-26-14-16)10-20(24)19(22)12-21(23(28)30)27-17-2-4-18(5-3-17)29-6-8-31-9-7-29/h2-5,10-14,27H,6-9H2,1H3,(H,25,26).
What are the key properties of 5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one?
5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one has a molecular weight of 419.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinolin-2-one is sourced from PubChem (CID 142494281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).