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

C14H19FN2O — CID 71698231

IUPAC1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(NCC(C)F)ccc21
InChIInChI=1S/C14H19FN2O/c1-10(15)9-16-13-5-6-14-12(8-13)4-3-7-17(14)11(2)18/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyRWZSNWJKRMMWFU-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.76
Rot. Bonds3

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

1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 71698231) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID71698231
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(NCC(C)F)ccc21
InChIInChI=1S/C14H19FN2O/c1-10(15)9-16-13-5-6-14-12(8-13)4-3-7-17(14)11(2)18/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyRWZSNWJKRMMWFU-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 54285326
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-chloro-2-fluoroacetamide
CID 166427902
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide
CID 7657049
1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110452337
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
1-[6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262503
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 71698231) is 1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2cc(NCC(C)F)ccc21.
What is the InChIKey of 1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is RWZSNWJKRMMWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(15)9-16-13-5-6-14-12(8-13)4-3-7-17(14)11(2)18/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 250.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 71698231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).