9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

C26H26N2O2 — CID 165487960

IUPAC9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCNCc1cccc2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2
InChIInChI=1S/C26H26N2O2/c1-27-15-19-8-6-7-18-13-14-28(16-24(18)19)26(29)30-17-25-22-11-4-2-9-20(22)21-10-3-5-12-23(21)25/h2-12,25,27H,13-17H2,1H3
InChIKeyLPXHDIDWNIZGTP-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.71
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 165487960) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
PubChem CID165487960
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCNCc1cccc2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2
InChIInChI=1S/C26H26N2O2/c1-27-15-19-8-6-7-18-13-14-28(16-24(18)19)26(29)30-17-25-22-11-4-2-9-20(22)21-10-3-5-12-23(21)25/h2-12,25,27H,13-17H2,1H3
InChIKeyLPXHDIDWNIZGTP-UHFFFAOYSA-N
XLogP4.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate
CID 2477112
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
ethyl 8-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 114523491
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
(1R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 86309425
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]benzoic acid
CID 154856826
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 165487960) is 9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate is CNCc1cccc2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2.
What is the InChIKey of 9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The InChIKey is LPXHDIDWNIZGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-27-15-19-8-6-7-18-13-14-28(16-24(18)19)26(29)30-17-25-22-11-4-2-9-20(22)21-10-3-5-12-23(21)25/h2-12,25,27H,13-17H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate?
9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 398.51 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 8-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 165487960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).