1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid

C28H21NO4 — CID 123465719

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid
SMILESO=C(O)C1Cc2cccc3cccc(c23)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H21NO4/c30-27(31)25-15-18-9-5-7-17-8-6-14-24(26(17)18)29(25)28(32)33-16-23-21-12-3-1-10-19(21)20-11-2-4-13-22(20)23/h1-14,23,25H,15-16H2,(H,30,31)
InChIKeyOQYIEOANJZDFNB-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.60
Rot. Bonds3

About 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid (PubChem CID 123465719) has the molecular formula C28H21NO4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid
PubChem CID123465719
Molecular FormulaC28H21NO4
Molecular Weight435.48 g/mol
Exact Mass435.15
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid
SMILESO=C(O)C1Cc2cccc3cccc(c23)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H21NO4/c30-27(31)25-15-18-9-5-7-17-8-6-14-24(26(17)18)29(25)28(32)33-16-23-21-12-3-1-10-19(21)20-11-2-4-13-22(20)23/h1-14,23,25H,15-16H2,(H,30,31)
InChIKeyOQYIEOANJZDFNB-UHFFFAOYSA-N
XLogP5.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid
CID 132771919
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylazetidine-2-carboxylic acid
CID 154704783
(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-fluoro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 154705915
(3S)-7,8-dichloro-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 172529872
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877
(2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 54307744
7-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 101100223
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 11609991
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 91026367

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid (CID 123465719) is 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid is O=C(O)C1Cc2cccc3cccc(c23)N1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid?
The InChIKey is OQYIEOANJZDFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO4/c30-27(31)25-15-18-9-5-7-17-8-6-14-24(26(17)18)29(25)28(32)33-16-23-21-12-3-1-10-19(21)20-11-2-4-13-22(20)23/h1-14,23,25H,15-16H2,(H,30,31).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid has a molecular weight of 435.48 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid is sourced from PubChem (CID 123465719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).