N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide

C24H25N3O2 — CID 122277144

IUPACN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C24H25N3O2/c28-23(16-18-10-12-20(13-11-18)19-6-2-1-3-7-19)25-14-15-27-24(29)17-21-8-4-5-9-22(21)26-27/h1-3,6-7,10-13,17H,4-5,8-9,14-16H2,(H,25,28)
InChIKeyGZGULBXUVWFXPI-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide

N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 122277144) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID122277144
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C24H25N3O2/c28-23(16-18-10-12-20(13-11-18)19-6-2-1-3-7-19)25-14-15-27-24(29)17-21-8-4-5-9-22(21)26-27/h1-3,6-7,10-13,17H,4-5,8-9,14-16H2,(H,25,28)
InChIKeyGZGULBXUVWFXPI-UHFFFAOYSA-N
XLogP3.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 122280641
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
2-(4-nitrophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide
CID 122280460
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 122277270
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide
CID 122280767
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
CID 122277641
2-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122160633
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277796
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
2-(2-fluorophenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277156
2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277400
N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 52900698

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide (CID 122277144) is N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCCn1nc2c(cc1=O)CCCC2.
What is the InChIKey of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is GZGULBXUVWFXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(16-18-10-12-20(13-11-18)19-6-2-1-3-7-19)25-14-15-27-24(29)17-21-8-4-5-9-22(21)26-27/h1-3,6-7,10-13,17H,4-5,8-9,14-16H2,(H,25,28).
What are the key properties of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 387.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 122277144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).