2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide

C21H20FN3O4 — CID 155567676

IUPAC2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C21H20FN3O4/c1-23-19(26)10-15-5-2-12-8-14(22)4-6-17(12)25(15)21(28)13-3-7-18-16(9-13)24-20(27)11-29-18/h3-4,6-9,15H,2,5,10-11H2,1H3,(H,23,26)(H,24,27)/t15-/m1/s1
InChIKeyHHAHWQRMWXEINT-OAHLLOKOSA-N
MW397.41 g/mol
LogP2.25
Rot. Bonds3

About 2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide

2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide (PubChem CID 155567676) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide
PubChem CID155567676
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C21H20FN3O4/c1-23-19(26)10-15-5-2-12-8-14(22)4-6-17(12)25(15)21(28)13-3-7-18-16(9-13)24-20(27)11-29-18/h3-4,6-9,15H,2,5,10-11H2,1H3,(H,23,26)(H,24,27)/t15-/m1/s1
InChIKeyHHAHWQRMWXEINT-OAHLLOKOSA-N
XLogP2.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(3S)-7-chloro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide
CID 118599769
2-[(3S)-6-chloro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide
CID 155528866
6-[(3R)-7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 155517819
2-[(3R)-7-fluoro-4-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide
CID 167249568
N-ethyl-2-[(3R)-7-fluoro-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 167249566
ethyl 2-[(3R)-7-chloro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate
CID 131736336
6-[4-[(3,5-difluorophenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 138709360
N-[(4-fluorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53013560
N-(4-fluorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
CID 23408144
6-[2-hydroxy-3-(methylamino)propanoyl]-4H-1,4-benzoxazin-3-one
CID 116826781
6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110763765
6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 96669404

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide (CID 155567676) is 2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide is CNC(=O)C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide?
The InChIKey is HHAHWQRMWXEINT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-23-19(26)10-15-5-2-12-8-14(22)4-6-17(12)25(15)21(28)13-3-7-18-16(9-13)24-20(27)11-29-18/h3-4,6-9,15H,2,5,10-11H2,1H3,(H,23,26)(H,24,27)/t15-/m1/s1.
What are the key properties of 2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide?
2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide has a molecular weight of 397.41 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylacetamide is sourced from PubChem (CID 155567676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).