6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine

C23H23N3O2 — CID 122495143

IUPAC6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine
SMILESNc1ncc(-c2cc3ccccc3o2)c2cc(OC3CCC(N)CC3)ccc12
InChIInChI=1S/C23H23N3O2/c24-15-5-7-16(8-6-15)27-17-9-10-18-19(12-17)20(13-26-23(18)25)22-11-14-3-1-2-4-21(14)28-22/h1-4,9-13,15-16H,5-8,24H2,(H2,25,26)
InChIKeyXEDVXLGVHBWAMI-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.88
Rot. Bonds3

About 6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine

6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine (PubChem CID 122495143) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine
PubChem CID122495143
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine
SMILESNc1ncc(-c2cc3ccccc3o2)c2cc(OC3CCC(N)CC3)ccc12
InChIInChI=1S/C23H23N3O2/c24-15-5-7-16(8-6-15)27-17-9-10-18-19(12-17)20(13-26-23(18)25)22-11-14-3-1-2-4-21(14)28-22/h1-4,9-13,15-16H,5-8,24H2,(H2,25,26)
InChIKeyXEDVXLGVHBWAMI-UHFFFAOYSA-N
XLogP4.88
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-aminocyclohexyl)oxy-4-phenylisoquinolin-1-amine
CID 122495360
6-[(4-aminopyridin-1-ium-1-yl)methyl]-4-(1-benzofuran-2-yl)isoquinolin-1-amine
CID 122457793
4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine
CID 142739735
4-quinolin-6-yloxycyclohexan-1-amine
CID 83719875
4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide
CID 122495279
tert-butyl N-[4-[4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-6-yl]oxycyclohexyl]carbamate
CID 122457465
6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline
CID 44526821
2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine
CID 24732880
6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine
CID 122495106
4-[[5-(1-benzofuran-2-yl)-1,1-dimethyl-7aH-thieno[2,3-d]pyrimidin-1-ium-4-yl]oxy]cyclohexan-1-amine
CID 123326757
tert-butyl N-[4-[4-(1-benzofuran-2-yl)-8-chloro-1-pyridin-1-ium-1-ylisoquinolin-6-yl]oxycyclohexyl]carbamate
CID 122457749
4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447246

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine?
The IUPAC name of 6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine (CID 122495143) is 6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine.
What is the SMILES notation for 6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine?
The canonical SMILES for 6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine is Nc1ncc(-c2cc3ccccc3o2)c2cc(OC3CCC(N)CC3)ccc12.
What is the InChIKey of 6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine?
The InChIKey is XEDVXLGVHBWAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-15-5-7-16(8-6-15)27-17-9-10-18-19(12-17)20(13-26-23(18)25)22-11-14-3-1-2-4-21(14)28-22/h1-4,9-13,15-16H,5-8,24H2,(H2,25,26).
What are the key properties of 6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine?
6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine has a molecular weight of 373.46 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine is sourced from PubChem (CID 122495143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).