3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one

C20H14ClN3O2 — CID 1231080

IUPAC3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one
SMILESCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1C=c2ccccc2=NC1=O
InChIInChI=1S/C20H14ClN3O2/c1-12-17(20(26)24(23-12)16-7-4-6-15(21)11-16)10-14-9-13-5-2-3-8-18(13)22-19(14)25/h2-11,23H,1H3
InChIKeyOYGJSLVKSPXHHI-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.15
Rot. Bonds2

About 3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one

3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one (PubChem CID 1231080) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one
PubChem CID1231080
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one
SMILESCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1C=c2ccccc2=NC1=O
InChIInChI=1S/C20H14ClN3O2/c1-12-17(20(26)24(23-12)16-7-4-6-15(21)11-16)10-14-9-13-5-2-3-8-18(13)22-19(14)25/h2-11,23H,1H3
InChIKeyOYGJSLVKSPXHHI-UHFFFAOYSA-N
XLogP2.15
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one?
The IUPAC name of 3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one (CID 1231080) is 3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one?
The canonical SMILES for 3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one is Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1C=c2ccccc2=NC1=O.
What is the InChIKey of 3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one?
The InChIKey is OYGJSLVKSPXHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-12-17(20(26)24(23-12)16-7-4-6-15(21)11-16)10-14-9-13-5-2-3-8-18(13)22-19(14)25/h2-11,23H,1H3.
What are the key properties of 3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one?
3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one has a molecular weight of 363.80 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]quinolin-2-one is sourced from PubChem (CID 1231080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).