6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one

C19H14ClN3O — CID 135489124

IUPAC6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n[nH]1
InChIInChI=1S/C19H14ClN3O/c1-11-9-16(23-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)24/h2-10H,1H3,(H,21,24)(H,22,23)
InChIKeyMYEZZPURINWAGY-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.55
Rot. Bonds2

About 6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one

6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one (PubChem CID 135489124) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one
PubChem CID135489124
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n[nH]1
InChIInChI=1S/C19H14ClN3O/c1-11-9-16(23-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)24/h2-10H,1H3,(H,21,24)(H,22,23)
InChIKeyMYEZZPURINWAGY-UHFFFAOYSA-N
XLogP4.55
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 155753654
CID 155753654
CID 175455497
CID 175455497
CID 18870920
CID 18870920
CID 51046316
CID 51046316
CID 71511478
CID 71511478
CID 135455516
CID 135455516
CID 136104488
CID 136104488

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one (CID 135489124) is 6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one is Cc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n[nH]1.
What is the InChIKey of 6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one?
The InChIKey is MYEZZPURINWAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-11-9-16(23-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)24/h2-10H,1H3,(H,21,24)(H,22,23).
What are the key properties of 6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one?
6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one has a molecular weight of 335.79 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 135489124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).