4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide

C24H23N3O2 — CID 122495279

IUPAC4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc3cncc(-c4cc5ccccc5o4)c3c2)CC1
InChIInChI=1S/C24H23N3O2/c25-18-8-5-15(6-9-18)24(28)27-19-10-7-17-13-26-14-21(20(17)12-19)23-11-16-3-1-2-4-22(16)29-23/h1-4,7,10-15,18H,5-6,8-9,25H2,(H,27,28)
InChIKeyIJHIRCMYZWJUCD-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.10
Rot. Bonds3

About 4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide

4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide (PubChem CID 122495279) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide
PubChem CID122495279
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc3cncc(-c4cc5ccccc5o4)c3c2)CC1
InChIInChI=1S/C24H23N3O2/c25-18-8-5-15(6-9-18)24(28)27-19-10-7-17-13-26-14-21(20(17)12-19)23-11-16-3-1-2-4-22(16)29-23/h1-4,7,10-15,18H,5-6,8-9,25H2,(H,27,28)
InChIKeyIJHIRCMYZWJUCD-UHFFFAOYSA-N
XLogP5.10
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide 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

4-(1-benzofuran-2-yl)-N-pyridin-4-ylisoquinolin-6-amine
CID 122457666
N-[5-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]amino]-2-pyridinyl]acetamide
CID 122457544
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
[1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-4-yl]carbamic acid
CID 122457727
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
tert-butyl 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperazine-1-carboxylate
CID 122495133
4-(1-benzofuran-2-yl)-8-chloro-N-cyclohexylisoquinolin-6-amine;tert-butyl carbamate;ethane
CID 145136231
N-dibenzofuran-3-ylcyclohexanecarboxamide
CID 2833464
4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 60850506
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide
CID 145136245

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide (CID 122495279) is 4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ccc3cncc(-c4cc5ccccc5o4)c3c2)CC1.
What is the InChIKey of 4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide?
The InChIKey is IJHIRCMYZWJUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c25-18-8-5-15(6-9-18)24(28)27-19-10-7-17-13-26-14-21(20(17)12-19)23-11-16-3-1-2-4-22(16)29-23/h1-4,7,10-15,18H,5-6,8-9,25H2,(H,27,28).
What are the key properties of 4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide?
4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 122495279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).