4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine

C22H15N3O — CID 122457666

IUPAC4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine
SMILESc1ccc2oc(-c3cncc4ccc(Nc5ccncc5)cc34)cc2c1
InChIInChI=1S/C22H15N3O/c1-2-4-21-15(3-1)11-22(26-21)20-14-24-13-16-5-6-18(12-19(16)20)25-17-7-9-23-10-8-17/h1-14H,(H,23,25)
InChIKeyQRVUQZWSKCKMJS-UHFFFAOYSA-N
MW337.38 g/mol
LogP5.79
Rot. Bonds3

About 4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine

4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine (PubChem CID 122457666) has the molecular formula C22H15N3O and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine
PubChem CID122457666
Molecular FormulaC22H15N3O
Molecular Weight337.38 g/mol
Exact Mass337.12
IUPAC Name4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine
SMILESc1ccc2oc(-c3cncc4ccc(Nc5ccncc5)cc34)cc2c1
InChIInChI=1S/C22H15N3O/c1-2-4-21-15(3-1)11-22(26-21)20-14-24-13-16-5-6-18(12-19(16)20)25-17-7-9-23-10-8-17/h1-14H,(H,23,25)
InChIKeyQRVUQZWSKCKMJS-UHFFFAOYSA-N
XLogP5.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.38
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide
CID 122457544
N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine
CID 122457476
4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide
CID 122495279
4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol
CID 122495273
N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine
CID 122457792
4-(1-benzofuran-2-yl)-6-(piperazin-1-ylmethyl)isoquinoline
CID 122457812
[4-(1-benzofuran-2-yl)isoquinolin-6-yl] (S)-trifluoromethanesulfinate
CID 122495177
tert-butyl N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]carbamate;tert-butyl N-(4-bromoisoquinolin-6-yl)carbamate;palladium;tetrakis(triphenylphosphane)
CID 160528767
4-(1-benzofuran-2-yl)-6-fluoroisoquinoline;4-(1-benzofuran-2-yl)-6-(pyridin-4-ylmethoxy)isoquinoline;pyridin-4-ylmethanamine
CID 162136739
N-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]pyridin-4-amine
CID 122495593
[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
CID 122457435
N-[6-(1-benzofuran-2-yl)naphthalen-2-yl]dibenzofuran-2-amine
CID 162366598

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine (CID 122457666) is 4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine is c1ccc2oc(-c3cncc4ccc(Nc5ccncc5)cc34)cc2c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine?
The InChIKey is QRVUQZWSKCKMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O/c1-2-4-21-15(3-1)11-22(26-21)20-14-24-13-16-5-6-18(12-19(16)20)25-17-7-9-23-10-8-17/h1-14H,(H,23,25).
What are the key properties of 4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine?
4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine has a molecular weight of 337.38 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine is sourced from PubChem (CID 122457666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).