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

C20H18FN3O — CID 167873901

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone
SMILESO=C(CNc1nccc2cc(F)ccc12)N1CCCc2ccccc21
InChIInChI=1S/C20H18FN3O/c21-16-7-8-17-15(12-16)9-10-22-20(17)23-13-19(25)24-11-3-5-14-4-1-2-6-18(14)24/h1-2,4,6-10,12H,3,5,11,13H2,(H,22,23)
InChIKeyPLJNSEUKKYFKJD-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.77
Rot. Bonds3

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone (PubChem CID 167873901) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone
PubChem CID167873901
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone
SMILESO=C(CNc1nccc2cc(F)ccc12)N1CCCc2ccccc21
InChIInChI=1S/C20H18FN3O/c21-16-7-8-17-15(12-16)9-10-22-20(17)23-13-19(25)24-11-3-5-14-4-1-2-6-18(14)24/h1-2,4,6-10,12H,3,5,11,13H2,(H,22,23)
InChIKeyPLJNSEUKKYFKJD-UHFFFAOYSA-N
XLogP3.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081516
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CID 119106847
1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone
CID 2106501
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110370861
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108953370
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone (CID 167873901) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone is O=C(CNc1nccc2cc(F)ccc12)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone?
The InChIKey is PLJNSEUKKYFKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-16-7-8-17-15(12-16)9-10-22-20(17)23-13-19(25)24-11-3-5-14-4-1-2-6-18(14)24/h1-2,4,6-10,12H,3,5,11,13H2,(H,22,23).
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone has a molecular weight of 335.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone is sourced from PubChem (CID 167873901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).