1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone

C21H21N5O — CID 133273214

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone
SMILESCc1cc(NCC(=O)N2CCCc3ccccc32)nc(-c2cccnc2)n1
InChIInChI=1S/C21H21N5O/c1-15-12-19(25-21(24-15)17-7-4-10-22-13-17)23-14-20(27)26-11-5-8-16-6-2-3-9-18(16)26/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,23,24,25)
InChIKeyXTTCGUAWBDPADZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.24
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone (PubChem CID 133273214) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone
PubChem CID133273214
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone
SMILESCc1cc(NCC(=O)N2CCCc3ccccc32)nc(-c2cccnc2)n1
InChIInChI=1S/C21H21N5O/c1-15-12-19(25-21(24-15)17-7-4-10-22-13-17)23-14-20(27)26-11-5-8-16-6-2-3-9-18(16)26/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,23,24,25)
InChIKeyXTTCGUAWBDPADZ-UHFFFAOYSA-N
XLogP3.24
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone
CID 133469730
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone
CID 133284170
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone
CID 30867769
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone
CID 110371938
1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone
CID 167754497
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50961051
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]ethanone
CID 50977494
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851301
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081516
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413223
6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302283

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone (CID 133273214) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone is Cc1cc(NCC(=O)N2CCCc3ccccc32)nc(-c2cccnc2)n1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone?
The InChIKey is XTTCGUAWBDPADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-12-19(25-21(24-15)17-7-4-10-22-13-17)23-14-20(27)26-11-5-8-16-6-2-3-9-18(16)26/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,23,24,25).
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone has a molecular weight of 359.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone is sourced from PubChem (CID 133273214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).