1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one

C22H20N2O — CID 110417579

IUPAC1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
SMILESO=C(C(Cc1ccncc1)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C22H20N2O/c25-22(24-15-12-19-8-4-5-9-21(19)24)20(18-6-2-1-3-7-18)16-17-10-13-23-14-11-17/h1-11,13-14,20H,12,15-16H2
InChIKeyXSRNRPYOUIWNFK-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.00
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one

1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one (PubChem CID 110417579) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
PubChem CID110417579
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
SMILESO=C(C(Cc1ccncc1)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C22H20N2O/c25-22(24-15-12-19-8-4-5-9-21(19)24)20(18-6-2-1-3-7-18)16-17-10-13-23-14-11-17/h1-11,13-14,20H,12,15-16H2
InChIKeyXSRNRPYOUIWNFK-UHFFFAOYSA-N
XLogP4.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110620139
(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one
CID 135054054
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 20930646
1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
CID 108999656
2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 76587033
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7889723
2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 24710591
benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium
CID 9105990
1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881630
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one (CID 110417579) is 1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one is O=C(C(Cc1ccncc1)c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
The InChIKey is XSRNRPYOUIWNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c25-22(24-15-12-19-8-4-5-9-21(19)24)20(18-6-2-1-3-7-18)16-17-10-13-23-14-11-17/h1-11,13-14,20H,12,15-16H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one has a molecular weight of 328.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 110417579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).