9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate

C24H20N2O2 — CID 141056438

IUPAC9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)C=CNC2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20N2O2/c27-24(26-18-10-9-17-14-25-12-11-16(17)13-18)28-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-13,23,25H,14-15H2,(H,26,27)
InChIKeyURLPJIXZHVASKF-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.12
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate

9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate (PubChem CID 141056438) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate
PubChem CID141056438
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)C=CNC2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20N2O2/c27-24(26-18-10-9-17-14-25-12-11-16(17)13-18)28-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-13,23,25H,14-15H2,(H,26,27)
InChIKeyURLPJIXZHVASKF-UHFFFAOYSA-N
XLogP5.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
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9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
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9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate
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9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
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9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
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CID 174007724
CID 174007724
9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate
CID 130985765
9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate
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9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
CID 90337303
9H-fluoren-9-ylmethyl N-[13-(9H-fluoren-9-ylmethoxycarbonylamino)-3,11-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-5-yl]carbamate
CID 132517761

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate (CID 141056438) is 9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate is O=C(Nc1ccc2c(c1)C=CNC2)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate?
The InChIKey is URLPJIXZHVASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-24(26-18-10-9-17-14-25-12-11-16(17)13-18)28-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-13,23,25H,14-15H2,(H,26,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate?
9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate has a molecular weight of 368.44 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate is sourced from PubChem (CID 141056438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).