N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine

C19H17N3O — CID 122457476

IUPACN'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine
SMILESNCCNc1ccc2cncc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C19H17N3O/c20-7-8-22-15-6-5-14-11-21-12-17(16(14)10-15)19-9-13-3-1-2-4-18(13)23-19/h1-6,9-12,22H,7-8,20H2
InChIKeySOAFWHNQOBFUBW-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.02
Rot. Bonds4

About N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine

N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine (PubChem CID 122457476) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine
PubChem CID122457476
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine
SMILESNCCNc1ccc2cncc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C19H17N3O/c20-7-8-22-15-6-5-14-11-21-12-17(16(14)10-15)19-9-13-3-1-2-4-18(13)23-19/h1-6,9-12,22H,7-8,20H2
InChIKeySOAFWHNQOBFUBW-UHFFFAOYSA-N
XLogP4.02
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine
CID 122457666
4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide
CID 122495279
N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide
CID 122457544
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
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)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278875
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-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1,4-diamine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl] trifluoromethanesulfonate;tert-butyl 2-[4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]cyclohexyl]acetate
CID 161451912
[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
CID 122457435

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine (CID 122457476) is N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine is NCCNc1ccc2cncc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine?
The InChIKey is SOAFWHNQOBFUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c20-7-8-22-15-6-5-14-11-21-12-17(16(14)10-15)19-9-13-3-1-2-4-18(13)23-19/h1-6,9-12,22H,7-8,20H2.
What are the key properties of N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine?
N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine has a molecular weight of 303.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 122457476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).