1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone

C23H21N3O2 — CID 109162524

IUPAC1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)N3CCCc4ccccc43)cn2)c1
InChIInChI=1S/C23H21N3O2/c1-16(27)18-7-4-9-20(14-18)25-22-12-11-19(15-24-22)23(28)26-13-5-8-17-6-2-3-10-21(17)26/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,24,25)
InChIKeyKSWMUFDROIXZFP-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.62
Rot. Bonds4

About 1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone

1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone (PubChem CID 109162524) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
PubChem CID109162524
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)N3CCCc4ccccc43)cn2)c1
InChIInChI=1S/C23H21N3O2/c1-16(27)18-7-4-9-20(14-18)25-22-12-11-19(15-24-22)23(28)26-13-5-8-17-6-2-3-10-21(17)26/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,24,25)
InChIKeyKSWMUFDROIXZFP-UHFFFAOYSA-N
XLogP4.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone with MolForge

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Related Compounds

[6-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109162542
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
N-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-2,3-dimethylbenzamide
CID 139690677
[5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109242554
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanone
CID 109157070
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109262976

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone (CID 109162524) is 1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2ccc(C(=O)N3CCCc4ccccc43)cn2)c1.
What is the InChIKey of 1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone?
The InChIKey is KSWMUFDROIXZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16(27)18-7-4-9-20(14-18)25-22-12-11-19(15-24-22)23(28)26-13-5-8-17-6-2-3-10-21(17)26/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,24,25).
What are the key properties of 1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone?
1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone is sourced from PubChem (CID 109162524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).