9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one

C21H19N5O2 — CID 169422035

IUPAC9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
SMILESCOc1ccc(C2CC(=O)Nc3ccc4cn[nH]c4c32)cc1Cn1cccn1
InChIInChI=1S/C21H19N5O2/c1-28-18-6-4-13(9-15(18)12-26-8-2-7-23-26)16-10-19(27)24-17-5-3-14-11-22-25-21(14)20(16)17/h2-9,11,16H,10,12H2,1H3,(H,22,25)(H,24,27)
InChIKeyBFKPSSKRQSGJTJ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.29
Rot. Bonds4

About 9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one

9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one (PubChem CID 169422035) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
PubChem CID169422035
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
SMILESCOc1ccc(C2CC(=O)Nc3ccc4cn[nH]c4c32)cc1Cn1cccn1
InChIInChI=1S/C21H19N5O2/c1-28-18-6-4-13(9-15(18)12-26-8-2-7-23-26)16-10-19(27)24-17-5-3-14-11-22-25-21(14)20(16)17/h2-9,11,16H,10,12H2,1H3,(H,22,25)(H,24,27)
InChIKeyBFKPSSKRQSGJTJ-UHFFFAOYSA-N
XLogP3.29
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72885591
9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169413087
9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169414693
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2234146
ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 166249619
(9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136676654
(9R)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136676655
9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169422093
5-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598405
(7S)-2-(ethylamino)-7-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26435901
(7R)-2-(ethylamino)-7-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26435903
1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 19590580

Frequently Asked Questions

What is the IUPAC name of 9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The IUPAC name of 9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one (CID 169422035) is 9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one.
What is the SMILES notation for 9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The canonical SMILES for 9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one is COc1ccc(C2CC(=O)Nc3ccc4cn[nH]c4c32)cc1Cn1cccn1.
What is the InChIKey of 9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The InChIKey is BFKPSSKRQSGJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-18-6-4-13(9-15(18)12-26-8-2-7-23-26)16-10-19(27)24-17-5-3-14-11-22-25-21(14)20(16)17/h2-9,11,16H,10,12H2,1H3,(H,22,25)(H,24,27).
What are the key properties of 9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one has a molecular weight of 373.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one is sourced from PubChem (CID 169422035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).