2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

C24H24N4O3 — CID 95154351

IUPAC2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C24H24N4O3/c29-23(14-22-24(30)27-19-6-2-3-7-21(19)31-22)26-18-8-9-20(28-12-4-1-5-13-28)16-10-11-25-15-17(16)18/h2-3,6-11,15,22H,1,4-5,12-14H2,(H,26,29)(H,27,30)/t22-/m1/s1
InChIKeyIWUKQPIKCZNBBW-JOCHJYFZSA-N
MW416.48 g/mol
LogP3.95
Rot. Bonds4

About 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (PubChem CID 95154351) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
PubChem CID95154351
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C24H24N4O3/c29-23(14-22-24(30)27-19-6-2-3-7-21(19)31-22)26-18-8-9-20(28-12-4-1-5-13-28)16-10-11-25-15-17(16)18/h2-3,6-11,15,22H,1,4-5,12-14H2,(H,26,29)(H,27,30)/t22-/m1/s1
InChIKeyIWUKQPIKCZNBBW-JOCHJYFZSA-N
XLogP3.95
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide with MolForge

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Related Compounds

2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 95154350
2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55501395
(3S)-1-oxo-N-(5-piperidin-1-ylisoquinolin-8-yl)-3,4-dihydroisochromene-3-carboxamide
CID 25393800
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8546401
2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 71889674
N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 42917506
3,3-dicyclopropyl-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide
CID 71889673
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-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 37314134
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881627
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55493627

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The IUPAC name of 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (CID 95154351) is 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(N2CCCCC2)c2ccncc12.
What is the InChIKey of 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The InChIKey is IWUKQPIKCZNBBW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-23(14-22-24(30)27-19-6-2-3-7-21(19)31-22)26-18-8-9-20(28-12-4-1-5-13-28)16-10-11-25-15-17(16)18/h2-3,6-11,15,22H,1,4-5,12-14H2,(H,26,29)(H,27,30)/t22-/m1/s1.
What are the key properties of 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide has a molecular weight of 416.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is sourced from PubChem (CID 95154351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).