N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide

C32H26FN3O — CID 135219188

IUPACN-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide
SMILESCc1cc2ccnc(N)c2cc1CNC(=O)c1ccc2c(c1)Cc1cc(-c3ccccc3F)ccc1C2
InChIInChI=1S/C32H26FN3O/c1-19-12-23-10-11-35-31(34)29(23)17-27(19)18-36-32(37)24-9-7-21-13-20-6-8-22(14-25(20)16-26(21)15-24)28-4-2-3-5-30(28)33/h2-12,14-15,17H,13,16,18H2,1H3,(H2,34,35)(H,36,37)
InChIKeyFEMXSNFFJZFEFM-UHFFFAOYSA-N
MW487.58 g/mol
LogP6.36
Rot. Bonds4

About N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide

N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide (PubChem CID 135219188) has the molecular formula C32H26FN3O and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide
PubChem CID135219188
Molecular FormulaC32H26FN3O
Molecular Weight487.58 g/mol
Exact Mass487.21
IUPAC NameN-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide
SMILESCc1cc2ccnc(N)c2cc1CNC(=O)c1ccc2c(c1)Cc1cc(-c3ccccc3F)ccc1C2
InChIInChI=1S/C32H26FN3O/c1-19-12-23-10-11-35-31(34)29(23)17-27(19)18-36-32(37)24-9-7-21-13-20-6-8-22(14-25(20)16-26(21)15-24)28-4-2-3-5-30(28)33/h2-12,14-15,17H,13,16,18H2,1H3,(H2,34,35)(H,36,37)
InChIKeyFEMXSNFFJZFEFM-UHFFFAOYSA-N
XLogP6.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide?
The IUPAC name of N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide (CID 135219188) is N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide.
What is the SMILES notation for N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide?
The canonical SMILES for N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide is Cc1cc2ccnc(N)c2cc1CNC(=O)c1ccc2c(c1)Cc1cc(-c3ccccc3F)ccc1C2.
What is the InChIKey of N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide?
The InChIKey is FEMXSNFFJZFEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN3O/c1-19-12-23-10-11-35-31(34)29(23)17-27(19)18-36-32(37)24-9-7-21-13-20-6-8-22(14-25(20)16-26(21)15-24)28-4-2-3-5-30(28)33/h2-12,14-15,17H,13,16,18H2,1H3,(H2,34,35)(H,36,37).
What are the key properties of N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide?
N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-6-methylisoquinolin-7-yl)methyl]-7-(2-fluorophenyl)-9,10-dihydroanthracene-2-carboxamide is sourced from PubChem (CID 135219188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).