9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate

C27H22N2O2 — CID 169469747

IUPAC9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1ccc2cnccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H22N2O2/c30-27(29-14-5-6-19-11-12-21-17-28-15-13-20(21)16-19)31-18-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26/h1-13,15-17,26H,14,18H2,(H,29,30)
InChIKeyAJGJEADKBLFDSW-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.79
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate

9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate (PubChem CID 169469747) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate
PubChem CID169469747
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1ccc2cnccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H22N2O2/c30-27(29-14-5-6-19-11-12-21-17-28-15-13-20(21)16-19)31-18-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26/h1-13,15-17,26H,14,18H2,(H,29,30)
InChIKeyAJGJEADKBLFDSW-UHFFFAOYSA-N
XLogP5.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
CID 169470273
9H-fluoren-9-ylmethyl N-(3-pyridin-3-ylprop-2-enyl)carbamate
CID 169468939
9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate
CID 169470295
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-pyridinyl)prop-2-enyl]carbamate
CID 169468973
9H-fluoren-9-ylmethyl N-[3-(5-formyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469299
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-(3-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469026
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-[4-(chloromethyl)-3-fluorophenyl]prop-2-enyl]carbamate
CID 169469379
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)prop-2-enyl]carbamate
CID 169469851

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate (CID 169469747) is 9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate is O=C(NCC=Cc1ccc2cnccc2c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate?
The InChIKey is AJGJEADKBLFDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c30-27(29-14-5-6-19-11-12-21-17-28-15-13-20(21)16-19)31-18-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26/h1-13,15-17,26H,14,18H2,(H,29,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate?
9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate has a molecular weight of 406.49 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate is sourced from PubChem (CID 169469747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).