1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one

C19H25FN4O — CID 71183494

IUPAC1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc3c(C)c(F)ccc3cc2[C@H](C)N)CC1
InChIInChI=1S/C19H25FN4O/c1-4-17(25)23-7-9-24(10-8-23)19-15(13(3)21)11-14-5-6-16(20)12(2)18(14)22-19/h5-6,11,13H,4,7-10,21H2,1-3H3/t13-/m0/s1
InChIKeyHZNNFOYTKQCMGM-ZDUSSCGKSA-N
MW344.43 g/mol
LogP2.76
Rot. Bonds3

About 1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one

1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 71183494) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one
PubChem CID71183494
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc3c(C)c(F)ccc3cc2[C@H](C)N)CC1
InChIInChI=1S/C19H25FN4O/c1-4-17(25)23-7-9-24(10-8-23)19-15(13(3)21)11-14-5-6-16(20)12(2)18(14)22-19/h5-6,11,13H,4,7-10,21H2,1-3H3/t13-/m0/s1
InChIKeyHZNNFOYTKQCMGM-ZDUSSCGKSA-N
XLogP2.76
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide
CID 66777185
methyl 4-[3-[(1S)-1-[(4-amino-1,3,5-triazin-2-yl)amino]ethyl]-7-fluoro-8-methylquinolin-2-yl]piperazine-1-carboxylate
CID 46898876
1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid
CID 66776778
1-[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]ethanone
CID 91664415
1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid
CID 71183555
[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone
CID 66776677
methyl 4-[3-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-7-fluoro-8-methylquinolin-2-yl]piperazine-1-carboxylate
CID 66580252
1-[4-[7-fluoro-6-methyl-3-[1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]propan-1-one
CID 90300928
1-[7-fluoro-8-methyl-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]piperidine-4-carboxamide;formic acid
CID 52938497
1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
CID 113081212
1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 59647867
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one (CID 71183494) is 1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2nc3c(C)c(F)ccc3cc2[C@H](C)N)CC1.
What is the InChIKey of 1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is HZNNFOYTKQCMGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-4-17(25)23-7-9-24(10-8-23)19-15(13(3)21)11-14-5-6-16(20)12(2)18(14)22-19/h5-6,11,13H,4,7-10,21H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one?
1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 344.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71183494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).