2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one

C22H21NO2 — CID 141343816

IUPAC2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=CC(c2ccc(Oc3ccccc3)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H21NO2/c1-15-14-19(22-20(23-15)8-5-9-21(22)24)16-10-12-18(13-11-16)25-17-6-3-2-4-7-17/h2-4,6-7,10-14,19,23H,5,8-9H2,1H3
InChIKeySMUGWPATUXLBCB-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.08
Rot. Bonds3

About 2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one

2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one (PubChem CID 141343816) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
PubChem CID141343816
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=CC(c2ccc(Oc3ccccc3)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H21NO2/c1-15-14-19(22-20(23-15)8-5-9-21(22)24)16-10-12-18(13-11-16)25-17-6-3-2-4-7-17/h2-4,6-7,10-14,19,23H,5,8-9H2,1H3
InChIKeySMUGWPATUXLBCB-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7,7-trimethyl-4-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 25194423
2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 19958906
3-methyl-2-phenoxycyclohex-2-en-1-one
CID 139765949
2-phenylethyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2868099
(4S)-4-(3-phenoxyphenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 27878922
3-acetyl-4-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 14955184
benzyl (4S)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1101362
methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2869771
ethyl 2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2763934
2-ethyl-7,7-dimethyl-4-(3-phenoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 4998460
2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid
CID 1080337
4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
CID 135833495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one (CID 141343816) is 2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one is CC1=CC(c2ccc(Oc3ccccc3)cc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is SMUGWPATUXLBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15-14-19(22-20(23-15)8-5-9-21(22)24)16-10-12-18(13-11-16)25-17-6-3-2-4-7-17/h2-4,6-7,10-14,19,23H,5,8-9H2,1H3.
What are the key properties of 2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 331.42 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 141343816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).