3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one

C18H19NO — CID 135128680

IUPAC3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one
SMILESCC1C(=O)C2=CCCC=C2NC1/C=C/c1ccccc1
InChIInChI=1S/C18H19NO/c1-13-16(12-11-14-7-3-2-4-8-14)19-17-10-6-5-9-15(17)18(13)20/h2-4,7-13,16,19H,5-6H2,1H3/b12-11+
InChIKeyCWHDWFXHQLMPND-VAWYXSNFSA-N
MW265.36 g/mol
LogP3.48
Rot. Bonds2

About 3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one

3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one (PubChem CID 135128680) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one
PubChem CID135128680
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one
SMILESCC1C(=O)C2=CCCC=C2NC1/C=C/c1ccccc1
InChIInChI=1S/C18H19NO/c1-13-16(12-11-14-7-3-2-4-8-14)19-17-10-6-5-9-15(17)18(13)20/h2-4,7-13,16,19H,5-6H2,1H3/b12-11+
InChIKeyCWHDWFXHQLMPND-VAWYXSNFSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one
CID 67831878
4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
CID 70066029
3-ethyl-4-(2-phenylethenyl)azetidin-2-one
CID 54427704
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
(4R)-4-(2-phenylethenyl)-1,3-oxazolidin-2-one
CID 69253686
(4R,4aR,8aR)-4-[(E)-2-phenylethenyl]-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-2-one
CID 102414577
(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 10806744
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 53254254
4-(2-phenylethenyl)pyrrolidin-2-one
CID 154016573
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329
5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one
CID 102399861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one (CID 135128680) is 3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one is CC1C(=O)C2=CCCC=C2NC1/C=C/c1ccccc1.
What is the InChIKey of 3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one?
The InChIKey is CWHDWFXHQLMPND-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-16(12-11-14-7-3-2-4-8-14)19-17-10-6-5-9-15(17)18(13)20/h2-4,7-13,16,19H,5-6H2,1H3/b12-11+.
What are the key properties of 3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one?
3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one has a molecular weight of 265.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 135128680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).