[2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate

C21H19FN2O3 — CID 42895795

IUPAC[2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate
SMILESCc1nc2cc(F)ccc2cc1C(=O)OC(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C21H19FN2O3/c1-13-17(11-15-9-10-16(22)12-18(15)23-13)21(26)27-19(20(25)24(2)3)14-7-5-4-6-8-14/h4-12,19H,1-3H3
InChIKeyXTDCJOGBUIZMEV-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.67
Rot. Bonds4

About [2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate

[2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate (PubChem CID 42895795) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate
PubChem CID42895795
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate
SMILESCc1nc2cc(F)ccc2cc1C(=O)OC(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C21H19FN2O3/c1-13-17(11-15-9-10-16(22)12-18(15)23-13)21(26)27-19(20(25)24(2)3)14-7-5-4-6-8-14/h4-12,19H,1-3H3
InChIKeyXTDCJOGBUIZMEV-UHFFFAOYSA-N
XLogP3.67
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 94785035
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 94785033
propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate
CID 46808074
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
CID 55390142
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 55392029
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8638579
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate
CID 27737574
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 46825699
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3,5-bis(trifluoromethyl)benzoate
CID 55391917
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 41406873

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate (CID 42895795) is [2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate is Cc1nc2cc(F)ccc2cc1C(=O)OC(C(=O)N(C)C)c1ccccc1.
What is the InChIKey of [2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
The InChIKey is XTDCJOGBUIZMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-13-17(11-15-9-10-16(22)12-18(15)23-13)21(26)27-19(20(25)24(2)3)14-7-5-4-6-8-14/h4-12,19H,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
[2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate has a molecular weight of 366.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 42895795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).