2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one

C18H17FN2O — CID 129262508

IUPAC2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one
SMILESCc1c([C@H](C)N)c(-c2ccccc2)c(=O)n2cc(F)ccc12
InChIInChI=1S/C18H17FN2O/c1-11-15-9-8-14(19)10-21(15)18(22)17(16(11)12(2)20)13-6-4-3-5-7-13/h3-10,12H,20H2,1-2H3/t12-/m0/s1
InChIKeyZHONMFLMOVJSQU-LBPRGKRZSA-N
MW296.34 g/mol
LogP3.43
Rot. Bonds2

About 2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one

2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one (PubChem CID 129262508) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one
PubChem CID129262508
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one
SMILESCc1c([C@H](C)N)c(-c2ccccc2)c(=O)n2cc(F)ccc12
InChIInChI=1S/C18H17FN2O/c1-11-15-9-8-14(19)10-21(15)18(22)17(16(11)12(2)20)13-6-4-3-5-7-13/h3-10,12H,20H2,1-2H3/t12-/m0/s1
InChIKeyZHONMFLMOVJSQU-LBPRGKRZSA-N
XLogP3.43
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one
CID 129262395
2,4-diamino-6-[[(1S)-1-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 129262526
4-amino-6-[[(1S)-1-[7-fluoro-1-(4-methylphenyl)-4-oxo-3-phenylquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262478
4-amino-6-[[(1S)-1-[7-fluoro-1-(4-hydroxyphenyl)-4-oxo-3-phenylquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262515
4-amino-6-[[(1S)-1-(1-cyclopropyl-7-fluoro-4-oxo-3-phenylquinolizin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 129262442
4-[2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-7-fluoro-4-oxo-3-phenylquinolizin-1-yl]benzoic acid
CID 129248635
4-[2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-7-fluoro-4-oxo-3-phenylquinolizin-1-yl]benzamide
CID 129248480
2,4-diamino-6-[[(1S)-1-[7-fluoro-1-(4-methoxyphenyl)-4-oxo-3-phenylquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262525
2-(aminomethyl)-7-fluoro-3-phenylquinolizin-4-one
CID 129262475
2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 129248363
1-ethyl-7-fluoro-3-phenyl-2-(2H-pyrimidin-1-yl)quinolizin-4-one
CID 118627682
(S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide
CID 140786719

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one?
The IUPAC name of 2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one (CID 129262508) is 2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one is Cc1c([C@H](C)N)c(-c2ccccc2)c(=O)n2cc(F)ccc12.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one?
The InChIKey is ZHONMFLMOVJSQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-11-15-9-8-14(19)10-21(15)18(22)17(16(11)12(2)20)13-6-4-3-5-7-13/h3-10,12H,20H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one?
2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one has a molecular weight of 296.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one is sourced from PubChem (CID 129262508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).