[2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone

C20H15N3O2 — CID 2168689

IUPAC[2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)n3cccn3)c3ccccc3n2)cc1
InChIInChI=1S/C20H15N3O2/c1-25-15-9-7-14(8-10-15)19-13-17(20(24)23-12-4-11-21-23)16-5-2-3-6-18(16)22-19/h2-13H,1H3
InChIKeyDNLDBAWEEDDTHB-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.80
Rot. Bonds3

About [2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone

[2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone (PubChem CID 2168689) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
PubChem CID2168689
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name[2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)n3cccn3)c3ccccc3n2)cc1
InChIInChI=1S/C20H15N3O2/c1-25-15-9-7-14(8-10-15)19-13-17(20(24)23-12-4-11-21-23)16-5-2-3-6-18(16)22-19/h2-13H,1H3
InChIKeyDNLDBAWEEDDTHB-UHFFFAOYSA-N
XLogP3.80
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-butoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
CID 4684967
[2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
CID 4319372
[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4605822
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 7693946
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4273485
N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide
CID 175202140
1,4-diazepan-1-yl-[2-(4-methoxyphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119415935
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1218453

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone (CID 2168689) is [2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone is COc1ccc(-c2cc(C(=O)n3cccn3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone?
The InChIKey is DNLDBAWEEDDTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-25-15-9-7-14(8-10-15)19-13-17(20(24)23-12-4-11-21-23)16-5-2-3-6-18(16)22-19/h2-13H,1H3.
What are the key properties of [2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone?
[2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone has a molecular weight of 329.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 2168689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).