2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid

C26H23NO4 — CID 132771919

IUPAC2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid
SMILESO=C(O)CC1CCc2ccccc2N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23NO4/c28-25(29)15-18-14-13-17-7-1-6-12-24(17)27(18)26(30)31-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-12,18,23H,13-16H2,(H,28,29)
InChIKeyOBKISLTWIWQTPT-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.23
Rot. Bonds4

About 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid

2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid (PubChem CID 132771919) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid
PubChem CID132771919
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid
SMILESO=C(O)CC1CCc2ccccc2N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23NO4/c28-25(29)15-18-14-13-17-7-1-6-12-24(17)27(18)26(30)31-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-12,18,23H,13-16H2,(H,28,29)
InChIKeyOBKISLTWIWQTPT-UHFFFAOYSA-N
XLogP5.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid with MolForge

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Related Compounds

2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid
CID 165452018
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CID 165458874
1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydrobenzo[de]quinoline-2-carboxylic acid
CID 123465719
2-[(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypyrrolidin-2-yl]acetic acid
CID 155821603
3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
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2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217
1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 63404851
(1R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 86309425
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid
CID 146155351
2-[(2R,5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-5-methylmorpholin-2-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid?
The IUPAC name of 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid (CID 132771919) is 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid is O=C(O)CC1CCc2ccccc2N1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid?
The InChIKey is OBKISLTWIWQTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c28-25(29)15-18-14-13-17-7-1-6-12-24(17)27(18)26(30)31-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-12,18,23H,13-16H2,(H,28,29).
What are the key properties of 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid?
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid has a molecular weight of 413.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid is sourced from PubChem (CID 132771919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).