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

C23H18F2N2O — CID 129262395

IUPAC2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one
SMILESC[C@H](N)c1c(-c2ccccc2)c(=O)n2cc(F)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C23H18F2N2O/c1-14(26)20-21(16-7-9-17(24)10-8-16)19-12-11-18(25)13-27(19)23(28)22(20)15-5-3-2-4-6-15/h2-14H,26H2,1H3/t14-/m0/s1
InChIKeyZSQXGTZIOXPSKD-AWEZNQCLSA-N
MW376.41 g/mol
LogP4.93
Rot. Bonds3

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

2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one (PubChem CID 129262395) has the molecular formula C23H18F2N2O and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one
PubChem CID129262395
Molecular FormulaC23H18F2N2O
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one
SMILESC[C@H](N)c1c(-c2ccccc2)c(=O)n2cc(F)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C23H18F2N2O/c1-14(26)20-21(16-7-9-17(24)10-8-16)19-12-11-18(25)13-27(19)23(28)22(20)15-5-3-2-4-6-15/h2-14H,26H2,1H3/t14-/m0/s1
InChIKeyZSQXGTZIOXPSKD-AWEZNQCLSA-N
XLogP4.93
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one
CID 129262508
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-[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
4-amino-6-[[(1S)-1-(1-cyclopropyl-7-fluoro-4-oxo-3-phenylquinolizin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 129262442
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-[1-cyclopropyl-7-fluoro-3-(4-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262485
4-amino-6-[[(1S)-1-[3-cyclopropyl-7-fluoro-1-(4-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 162649761
(S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide
CID 140786719
2-(aminomethyl)-7-fluoro-3-phenylquinolizin-4-one
CID 129262475

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one?
The IUPAC name of 2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one (CID 129262395) is 2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one is C[C@H](N)c1c(-c2ccccc2)c(=O)n2cc(F)ccc2c1-c1ccc(F)cc1.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one?
The InChIKey is ZSQXGTZIOXPSKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H18F2N2O/c1-14(26)20-21(16-7-9-17(24)10-8-16)19-12-11-18(25)13-27(19)23(28)22(20)15-5-3-2-4-6-15/h2-14H,26H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one?
2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one has a molecular weight of 376.41 g/mol, XLogP of 4.93, 3 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-(4-fluorophenyl)-3-phenylquinolizin-4-one is sourced from PubChem (CID 129262395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).