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

C18H18ClFN2O — CID 138044572

IUPAC2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CNCc1ccc(Cl)cc1F)N1CCCc2ccccc21
InChIInChI=1S/C18H18ClFN2O/c19-15-8-7-14(16(20)10-15)11-21-12-18(23)22-9-3-5-13-4-1-2-6-17(13)22/h1-2,4,6-8,10,21H,3,5,9,11-12H2
InChIKeyHHMABOCLVAGECD-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.55
Rot. Bonds4

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

2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 138044572) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID138044572
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CNCc1ccc(Cl)cc1F)N1CCCc2ccccc21
InChIInChI=1S/C18H18ClFN2O/c19-15-8-7-14(16(20)10-15)11-21-12-18(23)22-9-3-5-13-4-1-2-6-17(13)22/h1-2,4,6-8,10,21H,3,5,9,11-12H2
InChIKeyHHMABOCLVAGECD-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone
CID 119106847
4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]methyl]benzoic acid
CID 122035247
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629453
5-chloro-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]benzonitrile
CID 133285965
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370874
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
CID 3191782
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
CID 109000166
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanone
CID 119138472
2-(cyclopropylmethylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone;hydrochloride
CID 119732412
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide
CID 47078456
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone
CID 119106846

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 138044572) is 2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(CNCc1ccc(Cl)cc1F)N1CCCc2ccccc21.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is HHMABOCLVAGECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c19-15-8-7-14(16(20)10-15)11-21-12-18(23)22-9-3-5-13-4-1-2-6-17(13)22/h1-2,4,6-8,10,21H,3,5,9,11-12H2.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 332.81 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 138044572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).