1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone

C19H21FN2O — CID 119106847

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone
SMILESCc1cc(F)ccc1CNCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H21FN2O/c1-14-11-17(20)9-8-16(14)12-21-13-19(23)22-10-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-9,11,21H,4,6,10,12-13H2,1H3
InChIKeyXLBFUVVWTDXIKU-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.20
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone (PubChem CID 119106847) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone
PubChem CID119106847
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone
SMILESCc1cc(F)ccc1CNCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H21FN2O/c1-14-11-17(20)9-8-16(14)12-21-13-19(23)22-10-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-9,11,21H,4,6,10,12-13H2,1H3
InChIKeyXLBFUVVWTDXIKU-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone with MolForge

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 138044572
4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]methyl]benzoic acid
CID 122035247
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanone
CID 119138472
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000642
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110370861
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
CID 3191782
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108953370
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111876608
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone (CID 119106847) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone is Cc1cc(F)ccc1CNCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone?
The InChIKey is XLBFUVVWTDXIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-14-11-17(20)9-8-16(14)12-21-13-19(23)22-10-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-9,11,21H,4,6,10,12-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone has a molecular weight of 312.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone is sourced from PubChem (CID 119106847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).