9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate

C28H26N2O5 — CID 171887423

IUPAC9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1cccc2c(=O)cc[nH]c12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26N2O5/c31-24-12-14-29-26-21(24)10-5-11-22(26)27(33)25(32)13-15-30-28(34)35-16-23-19-8-3-1-6-17(19)18-7-2-4-9-20(18)23/h1-12,14,23,25,27,32-33H,13,15-16H2,(H,29,31)(H,30,34)
InChIKeyMBSZEQFIUGIQRX-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.85
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate (PubChem CID 171887423) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate
PubChem CID171887423
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1cccc2c(=O)cc[nH]c12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26N2O5/c31-24-12-14-29-26-21(24)10-5-11-22(26)27(33)25(32)13-15-30-28(34)35-16-23-19-8-3-1-6-17(19)18-7-2-4-9-20(18)23/h1-12,14,23,25,27,32-33H,13,15-16H2,(H,29,31)(H,30,34)
InChIKeyMBSZEQFIUGIQRX-UHFFFAOYSA-N
XLogP3.85
TPSA111.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(2-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886050
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate
CID 171886870
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate
CID 171886797
9H-fluoren-9-ylmethyl N-[4-(2-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886250
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butyl]carbamate
CID 171886502
3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-2-fluorobenzoic acid
CID 171886901
9H-fluoren-9-ylmethyl N-[4-(2-ethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886565
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2,4,5-trifluorophenyl)butyl]carbamate
CID 171886450
9H-fluoren-9-ylmethyl N-[4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886334
9H-fluoren-9-ylmethyl N-[4-(3-amino-6-chloropyridazin-4-yl)-3,4-dihydroxybutyl]carbamate
CID 171886431
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylthiophen-3-yl)butyl]carbamate
CID 171886024

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate (CID 171887423) is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate is O=C(NCCC(O)C(O)c1cccc2c(=O)cc[nH]c12)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate?
The InChIKey is MBSZEQFIUGIQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c31-24-12-14-29-26-21(24)10-5-11-22(26)27(33)25(32)13-15-30-28(34)35-16-23-19-8-3-1-6-17(19)18-7-2-4-9-20(18)23/h1-12,14,23,25,27,32-33H,13,15-16H2,(H,29,31)(H,30,34).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate?
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate has a molecular weight of 470.53 g/mol, XLogP of 3.85, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate is sourced from PubChem (CID 171887423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).