2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

C29H26N4O2 — CID 55501395

IUPAC2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C29H26N4O2/c34-28(19-33-26-10-4-2-8-21(26)29(35)22-9-3-5-11-27(22)33)31-24-12-13-25(32-16-6-1-7-17-32)20-14-15-30-18-23(20)24/h2-5,8-15,18H,1,6-7,16-17,19H2,(H,31,34)
InChIKeyOFIKTMVSNUIHLE-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.33
Rot. Bonds4

About 2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (PubChem CID 55501395) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
PubChem CID55501395
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC Name2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C29H26N4O2/c34-28(19-33-26-10-4-2-8-21(26)29(35)22-9-3-5-11-27(22)33)31-24-12-13-25(32-16-6-1-7-17-32)20-14-15-30-18-23(20)24/h2-5,8-15,18H,1,6-7,16-17,19H2,(H,31,34)
InChIKeyOFIKTMVSNUIHLE-UHFFFAOYSA-N
XLogP5.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide
CID 25413509
N-[4-oxo-4-[(5-piperidin-1-ylisoquinolin-8-yl)amino]butyl]benzamide
CID 39235528
2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 71889674
2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 26074503
(3S)-1-oxo-N-(5-piperidin-1-ylisoquinolin-8-yl)-3,4-dihydroisochromene-3-carboxamide
CID 25393800
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide
CID 26075000
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 95154350
2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 95154351
3,3-dicyclopropyl-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide
CID 71889673
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55493627
N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 41173174
2-(2-amino-2-oxoethyl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide
CID 37314091

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The IUPAC name of 2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (CID 55501395) is 2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(N2CCCCC2)c2ccncc12.
What is the InChIKey of 2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The InChIKey is OFIKTMVSNUIHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c34-28(19-33-26-10-4-2-8-21(26)29(35)22-9-3-5-11-27(22)33)31-24-12-13-25(32-16-6-1-7-17-32)20-14-15-30-18-23(20)24/h2-5,8-15,18H,1,6-7,16-17,19H2,(H,31,34).
What are the key properties of 2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is sourced from PubChem (CID 55501395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).