9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate

C27H21ClN2O2 — CID 169470295

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc2nc(Cl)ccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H21ClN2O2/c28-26-14-12-19-16-18(11-13-25(19)30-26)6-5-15-29-27(31)32-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-14,16,24H,15,17H2,(H,29,31)
InChIKeyAMSYYXQAFRWZEW-UHFFFAOYSA-N
MW440.93 g/mol
LogP6.44
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate (PubChem CID 169470295) has the molecular formula C27H21ClN2O2 and a molecular weight of 440.93 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate
PubChem CID169470295
Molecular FormulaC27H21ClN2O2
Molecular Weight440.93 g/mol
Exact Mass440.13
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc2nc(Cl)ccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H21ClN2O2/c28-26-14-12-19-16-18(11-13-25(19)30-26)6-5-15-29-27(31)32-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-14,16,24H,15,17H2,(H,29,31)
InChIKeyAMSYYXQAFRWZEW-UHFFFAOYSA-N
XLogP6.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-isoquinolin-6-ylprop-2-enyl)carbamate
CID 169469747
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)prop-2-enyl]carbamate
CID 169469851
9H-fluoren-9-ylmethyl N-[3-(4-acetyl-3-chlorophenyl)prop-2-enyl]carbamate
CID 169469856
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-formylphenyl)prop-2-enyl]carbamate
CID 169469433
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169469405
9H-fluoren-9-ylmethyl N-[3-[4-(chloromethyl)-3-fluorophenyl]prop-2-enyl]carbamate
CID 169469379
9H-fluoren-9-ylmethyl N-[3-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]carbamate
CID 169469327
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169469145
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydrazinylphenyl)prop-2-enyl]carbamate
CID 169469493

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate (CID 169470295) is 9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc2nc(Cl)ccc2c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate?
The InChIKey is AMSYYXQAFRWZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O2/c28-26-14-12-19-16-18(11-13-25(19)30-26)6-5-15-29-27(31)32-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-14,16,24H,15,17H2,(H,29,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate has a molecular weight of 440.93 g/mol, XLogP of 6.44, 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-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).