isoquinoline;N-phenylacetamide

C17H16N2O — CID 70376820

IUPACisoquinoline;N-phenylacetamide
SMILESCC(=O)Nc1ccccc1.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C8H9NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-7(10)9-8-5-3-2-4-6-8/h1-7H;2-6H,1H3,(H,9,10)
InChIKeySWGMNGJIMVDCMX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.88
Rot. Bonds1

About isoquinoline;N-phenylacetamide

isoquinoline;N-phenylacetamide (PubChem CID 70376820) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is isoquinoline;N-phenylacetamide.

Molecular Properties

Compound Nameisoquinoline;N-phenylacetamide
PubChem CID70376820
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Nameisoquinoline;N-phenylacetamide
SMILESCC(=O)Nc1ccccc1.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C8H9NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-7(10)9-8-5-3-2-4-6-8/h1-7H;2-6H,1H3,(H,9,10)
InChIKeySWGMNGJIMVDCMX-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze isoquinoline;N-phenylacetamide 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

acetic acid;isoquinoline
CID 66713221
cobalt;N-phenylacetamide
CID 158689050
but-2-enedioic acid;isoquinoline
CID 66628488
hydroxylamine;isoquinoline
CID 158472415
ethane;isoquinoline;hydroiodide
CID 153349858
acetyl bromide;N-phenylacetamide
CID 175285562
isoquinoline;1,2,2-triphenylethenylbenzene
CID 159280629
phenoxybenzene;N-phenylacetamide
CID 174350344
CID 70250148
CID 70250148
N-phenylacetamide;toluene
CID 175205531
deuteriomethane;ethane;N-phenylacetamide
CID 91156750
nitrous acid;N-phenylacetamide
CID 174797407

Frequently Asked Questions

What is the IUPAC name of isoquinoline;N-phenylacetamide?
The IUPAC name of isoquinoline;N-phenylacetamide (CID 70376820) is isoquinoline;N-phenylacetamide.
What is the SMILES notation for isoquinoline;N-phenylacetamide?
The canonical SMILES for isoquinoline;N-phenylacetamide is CC(=O)Nc1ccccc1.c1ccc2cnccc2c1.
What is the InChIKey of isoquinoline;N-phenylacetamide?
The InChIKey is SWGMNGJIMVDCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H9NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-7(10)9-8-5-3-2-4-6-8/h1-7H;2-6H,1H3,(H,9,10).
What are the key properties of isoquinoline;N-phenylacetamide?
isoquinoline;N-phenylacetamide has a molecular weight of 264.33 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline;N-phenylacetamide is sourced from PubChem (CID 70376820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).