4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid

C23H19FN2O3 — CID 44527409

IUPAC4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid
SMILESCOc1cccc(-c2ccc3c(-c4ccc(F)cc4)cnc(N)c3c2)c1.O=CO
InChIInChI=1S/C22H17FN2O.CH2O2/c1-26-18-4-2-3-15(11-18)16-7-10-19-20(12-16)22(24)25-13-21(19)14-5-8-17(23)9-6-14;2-1-3/h2-13H,1H3,(H2,24,25);1H,(H,2,3)
InChIKeyAMKHDQDJMJMSBM-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.00
Rot. Bonds3

About 4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid

4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid (PubChem CID 44527409) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid
PubChem CID44527409
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid
SMILESCOc1cccc(-c2ccc3c(-c4ccc(F)cc4)cnc(N)c3c2)c1.O=CO
InChIInChI=1S/C22H17FN2O.CH2O2/c1-26-18-4-2-3-15(11-18)16-7-10-19-20(12-16)22(24)25-13-21(19)14-5-8-17(23)9-6-14;2-1-3/h2-13H,1H3,(H2,24,25);1H,(H,2,3)
InChIKeyAMKHDQDJMJMSBM-UHFFFAOYSA-N
XLogP5.00
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(6-Methoxy-3-methylnaphthalen-2-yl)isoquinoline
CID 25034427
N-[4-Chloro-7-(3-methoxy-phenyl)-isoquinolin-1-yl]-guanidine
CID 21192441
7-(3-Methoxyphenyl)isoquinolin-1-amine;2,2,2-trifluoroacetic acid
CID 44525576
7-(6-amino-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid
CID 44525680
7-(4-Phenylmethoxyphenyl)isoquinolin-1-amine;2,2,2-trifluoroacetic acid
CID 44525689
7-(3-Phenylmethoxyphenyl)isoquinolin-1-amine;2,2,2-trifluoroacetic acid
CID 44525703
7-(4-Phenoxyphenyl)isoquinolin-1-amine;2,2,2-trifluoroacetic acid
CID 44525707
7-(3-Methoxyphenyl)-4-(3-methylsulfonylphenyl)isoquinolin-1-amine
CID 44527380
4-(4-Fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine
CID 44527393
N-[3-[1-amino-7-(3-methoxyphenyl)isoquinolin-4-yl]phenyl]acetamide;formic acid
CID 44527473
7-Cyclohexyloxyisoquinolin-1-amine;formic acid
CID 44530238
6-[[(3-Phenoxyphenyl)methylamino]methyl]isoquinolin-1-amine
CID 53321582

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid?
The IUPAC name of 4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid (CID 44527409) is 4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid?
The canonical SMILES for 4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid is COc1cccc(-c2ccc3c(-c4ccc(F)cc4)cnc(N)c3c2)c1.O=CO.
What is the InChIKey of 4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid?
The InChIKey is AMKHDQDJMJMSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O.CH2O2/c1-26-18-4-2-3-15(11-18)16-7-10-19-20(12-16)22(24)25-13-21(19)14-5-8-17(23)9-6-14;2-1-3/h2-13H,1H3,(H2,24,25);1H,(H,2,3).
What are the key properties of 4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid?
4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid has a molecular weight of 390.41 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-(3-methoxyphenyl)isoquinolin-1-amine;formic acid is sourced from PubChem (CID 44527409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).