4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

C21H20FN3O4 — CID 169414133

IUPAC4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1cnn(-c3ccc(F)cc3)c1)CC(=O)N2
InChIInChI=1S/C21H20FN3O4/c1-27-17-9-16-19(21(29-3)20(17)28-2)15(8-18(26)24-16)12-10-23-25(11-12)14-6-4-13(22)5-7-14/h4-7,9-11,15H,8H2,1-3H3,(H,24,26)
InChIKeyHYYNRERJNWIBNT-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.51
Rot. Bonds5

About 4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169414133) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID169414133
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1cnn(-c3ccc(F)cc3)c1)CC(=O)N2
InChIInChI=1S/C21H20FN3O4/c1-27-17-9-16-19(21(29-3)20(17)28-2)15(8-18(26)24-16)12-10-23-25(11-12)14-6-4-13(22)5-7-14/h4-7,9-11,15H,8H2,1-3H3,(H,24,26)
InChIKeyHYYNRERJNWIBNT-UHFFFAOYSA-N
XLogP3.51
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17285543
5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 169412042
4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 130383098
5,6,7-trimethoxy-4-(6-methoxy-2-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 170508079
4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 171385412
5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 17122353
methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
CID 171387807
(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 40645350
(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 6462277
1-cyclopentyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632536
(4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833410

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 169414133) is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1OC)C(c1cnn(-c3ccc(F)cc3)c1)CC(=O)N2.
What is the InChIKey of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HYYNRERJNWIBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-27-17-9-16-19(21(29-3)20(17)28-2)15(8-18(26)24-16)12-10-23-25(11-12)14-6-4-13(22)5-7-14/h4-7,9-11,15H,8H2,1-3H3,(H,24,26).
What are the key properties of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 397.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169414133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).