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

C23H23N3O — CID 109232136

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
SMILESCc1ccccc1CNc1cncc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C23H23N3O/c1-17-7-2-3-9-19(17)15-25-21-13-20(14-24-16-21)23(27)26-12-6-10-18-8-4-5-11-22(18)26/h2-5,7-9,11,13-14,16,25H,6,10,12,15H2,1H3
InChIKeyRBBSGGINQIWRMR-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.60
Rot. Bonds4

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

3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone (PubChem CID 109232136) 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-methylphenyl)methylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
PubChem CID109232136
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
SMILESCc1ccccc1CNc1cncc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C23H23N3O/c1-17-7-2-3-9-19(17)15-25-21-13-20(14-24-16-21)23(27)26-12-6-10-18-8-4-5-11-22(18)26/h2-5,7-9,11,13-14,16,25H,6,10,12,15H2,1H3
InChIKeyRBBSGGINQIWRMR-UHFFFAOYSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242545
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229964
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
3,4-dihydro-2H-quinolin-1-yl-[5-(3-phenylpropylamino)-3-pyridinyl]methanone
CID 109239100
[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845
3,4-dihydro-2H-quinolin-1-yl-[2-[(2-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109303958
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
CID 109240141
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109108184
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242383
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109108174
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone (CID 109232136) is 3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone is Cc1ccccc1CNc1cncc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone?
The InChIKey is RBBSGGINQIWRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-17-7-2-3-9-19(17)15-25-21-13-20(14-24-16-21)23(27)26-12-6-10-18-8-4-5-11-22(18)26/h2-5,7-9,11,13-14,16,25H,6,10,12,15H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone has a molecular weight of 357.46 g/mol, XLogP of 4.60, 4 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-methylphenyl)methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 109232136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).