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

C23H23N3O — CID 109189267

IUPAC[5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCN(Cc1ccccc1)c1ccc(C(=O)N2CCCc3ccccc32)nc1
InChIInChI=1S/C23H23N3O/c1-25(17-18-8-3-2-4-9-18)20-13-14-21(24-16-20)23(27)26-15-7-11-19-10-5-6-12-22(19)26/h2-6,8-10,12-14,16H,7,11,15,17H2,1H3
InChIKeyNGHSLPUBTSPLHT-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.31
Rot. Bonds4

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

[5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109189267) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is [5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109189267
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name[5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCN(Cc1ccccc1)c1ccc(C(=O)N2CCCc3ccccc32)nc1
InChIInChI=1S/C23H23N3O/c1-25(17-18-8-3-2-4-9-18)20-13-14-21(24-16-20)23(27)26-15-7-11-19-10-5-6-12-22(19)26/h2-6,8-10,12-14,16H,7,11,15,17H2,1H3
InChIKeyNGHSLPUBTSPLHT-UHFFFAOYSA-N
XLogP4.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109192967
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109306718
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]methanone
CID 109186156
[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109189255
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863
[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109329497
(5-bromo-2-pyridinyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62998701

Frequently Asked Questions

What is the IUPAC name of [5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109189267) is [5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is CN(Cc1ccccc1)c1ccc(C(=O)N2CCCc3ccccc32)nc1.
What is the InChIKey of [5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is NGHSLPUBTSPLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-25(17-18-8-3-2-4-9-18)20-13-14-21(24-16-20)23(27)26-15-7-11-19-10-5-6-12-22(19)26/h2-6,8-10,12-14,16H,7,11,15,17H2,1H3.
What are the key properties of [5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 357.46 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109189267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).