3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone

C23H23N3O — CID 109242545

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
SMILESCc1cccc(Nc2cncc(C(=O)N3CCCc4ccccc43)c2)c1C
InChIInChI=1S/C23H23N3O/c1-16-7-5-10-21(17(16)2)25-20-13-19(14-24-15-20)23(27)26-12-6-9-18-8-3-4-11-22(18)26/h3-5,7-8,10-11,13-15,25H,6,9,12H2,1-2H3
InChIKeyGCVUWLHYYXJJKC-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.04
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone (PubChem CID 109242545) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
PubChem CID109242545
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
SMILESCc1cccc(Nc2cncc(C(=O)N3CCCc4ccccc43)c2)c1C
InChIInChI=1S/C23H23N3O/c1-16-7-5-10-21(17(16)2)25-20-13-19(14-24-15-20)23(27)26-12-6-9-18-8-3-4-11-22(18)26/h3-5,7-8,10-11,13-15,25H,6,9,12H2,1-2H3
InChIKeyGCVUWLHYYXJJKC-UHFFFAOYSA-N
XLogP5.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242383
3,4-dihydro-2H-quinolin-1-yl-[5-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109242568
3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109232136
[5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109242554
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-2-pyridinyl]methanone
CID 109197739
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109108184
[5-(2,5-dichloroanilino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109242444
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109108174
N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108144
N-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-2,3-dimethylbenzamide
CID 139690677

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone (CID 109242545) is 3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone is Cc1cccc(Nc2cncc(C(=O)N3CCCc4ccccc43)c2)c1C.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone?
The InChIKey is GCVUWLHYYXJJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-7-5-10-21(17(16)2)25-20-13-19(14-24-15-20)23(27)26-12-6-9-18-8-3-4-11-22(18)26/h3-5,7-8,10-11,13-15,25H,6,9,12H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone has a molecular weight of 357.46 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109242545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).