2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one

C22H17NO2 — CID 90676089

IUPAC2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H17NO2/c1-15-21(22(24)19-9-5-6-10-20(19)23-15)16-11-13-18(14-12-16)25-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,24)
InChIKeyJBRVAEVTSWMFNY-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.30
Rot. Bonds3

About 2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one

2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one (PubChem CID 90676089) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one
PubChem CID90676089
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H17NO2/c1-15-21(22(24)19-9-5-6-10-20(19)23-15)16-11-13-18(14-12-16)25-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,24)
InChIKeyJBRVAEVTSWMFNY-UHFFFAOYSA-N
XLogP5.30
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-2-{[(3-phenoxypropyl)amino]methyl}quinolin-4-OL
CID 72901200
6-Methoxy-2-phenyl-4-quinolone
CID 124348
2-Methoxy-9(10H)-acridone
CID 407032
2-(4-Methoxyphenyl)-4-quinolinol
CID 9547801
5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate
CID 209910
3-(4-Fluoroanilino)-1-(4-methoxyphenyl)-1-propanone
CID 930491
6-Ethoxy-2-methyl-4-quinolinol
CID 730934
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
6-Methoxy-2-methylquinolin-4-ol
CID 316987
2-[[3-(2-Phenylethoxy)phenyl]amino]benzamide
CID 56935695
3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
CID 56965231
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1H)-one
CID 56965336

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one (CID 90676089) is 2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one is Cc1[nH]c2ccccc2c(=O)c1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one?
The InChIKey is JBRVAEVTSWMFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-15-21(22(24)19-9-5-6-10-20(19)23-15)16-11-13-18(14-12-16)25-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,24).
What are the key properties of 2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one?
2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one has a molecular weight of 327.38 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-phenoxyphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 90676089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).