5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide

C23H20BrN3O2 — CID 95092006

IUPAC5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C23H20BrN3O2/c24-19-13-18(14-25-15-19)22(28)26-21(17-8-2-1-3-9-17)23(29)27-12-6-10-16-7-4-5-11-20(16)27/h1-5,7-9,11,13-15,21H,6,10,12H2,(H,26,28)/t21-/m0/s1
InChIKeyMLXXEQLVWWRIEY-NRFANRHFSA-N
MW450.34 g/mol
LogP4.29
Rot. Bonds4

About 5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide

5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 95092006) has the molecular formula C23H20BrN3O2 and a molecular weight of 450.34 g/mol. Its IUPAC name is 5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
PubChem CID95092006
Molecular FormulaC23H20BrN3O2
Molecular Weight450.34 g/mol
Exact Mass449.07
IUPAC Name5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C23H20BrN3O2/c24-19-13-18(14-25-15-19)22(28)26-21(17-8-2-1-3-9-17)23(29)27-12-6-10-16-7-4-5-11-20(16)27/h1-5,7-9,11,13-15,21H,6,10,12H2,(H,26,28)/t21-/m0/s1
InChIKeyMLXXEQLVWWRIEY-NRFANRHFSA-N
XLogP4.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide
CID 95092000
N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-methoxybenzamide
CID 95091997
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 53125901
N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 95091921
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide
CID 93077064
N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
CID 109102375
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide
CID 53125902
4-bromo-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 53037123
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide
CID 95092008
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-methoxyphenyl)acetamide
CID 53125928
2-(3,4-diethoxyphenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]acetamide
CID 53125952

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide (CID 95092006) is 5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide is O=C(N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is MLXXEQLVWWRIEY-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20BrN3O2/c24-19-13-18(14-25-15-19)22(28)26-21(17-8-2-1-3-9-17)23(29)27-12-6-10-16-7-4-5-11-20(16)27/h1-5,7-9,11,13-15,21H,6,10,12H2,(H,26,28)/t21-/m0/s1.
What are the key properties of 5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide?
5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 450.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 95092006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).