2-pyren-4-yl-N-quinolin-8-ylacetamide

C27H18N2O — CID 52934707

IUPAC2-pyren-4-yl-N-quinolin-8-ylacetamide
SMILESO=C(Cc1cc2cccc3ccc4cccc1c4c32)Nc1cccc2cccnc12
InChIInChI=1S/C27H18N2O/c30-24(29-23-11-3-7-19-9-4-14-28-27(19)23)16-21-15-20-8-1-5-17-12-13-18-6-2-10-22(21)26(18)25(17)20/h1-15H,16H2,(H,29,30)
InChIKeyUJTSSKMAWVFMCU-UHFFFAOYSA-N
MW386.45 g/mol
LogP6.31
Rot. Bonds3

About 2-pyren-4-yl-N-quinolin-8-ylacetamide

2-pyren-4-yl-N-quinolin-8-ylacetamide (PubChem CID 52934707) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-pyren-4-yl-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-pyren-4-yl-N-quinolin-8-ylacetamide
PubChem CID52934707
Molecular FormulaC27H18N2O
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC Name2-pyren-4-yl-N-quinolin-8-ylacetamide
SMILESO=C(Cc1cc2cccc3ccc4cccc1c4c32)Nc1cccc2cccnc12
InChIInChI=1S/C27H18N2O/c30-24(29-23-11-3-7-19-9-4-14-28-27(19)23)16-21-15-20-8-1-5-17-12-13-18-6-2-10-22(21)26(18)25(17)20/h1-15H,16H2,(H,29,30)
InChIKeyUJTSSKMAWVFMCU-UHFFFAOYSA-N
XLogP6.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-(5-fluoro-2-methoxyphenyl)-N-quinolin-8-ylacetamide
CID 110767221
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
2-(2,4-dimethoxy-3-methylphenyl)-N-quinolin-8-ylacetamide
CID 110769870
2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide
CID 27676108
2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride
CID 163331219
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
2-nitro-N-quinolin-8-ylacetamide
CID 108814489
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395

Frequently Asked Questions

What is the IUPAC name of 2-pyren-4-yl-N-quinolin-8-ylacetamide?
The IUPAC name of 2-pyren-4-yl-N-quinolin-8-ylacetamide (CID 52934707) is 2-pyren-4-yl-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-pyren-4-yl-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-pyren-4-yl-N-quinolin-8-ylacetamide is O=C(Cc1cc2cccc3ccc4cccc1c4c32)Nc1cccc2cccnc12.
What is the InChIKey of 2-pyren-4-yl-N-quinolin-8-ylacetamide?
The InChIKey is UJTSSKMAWVFMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O/c30-24(29-23-11-3-7-19-9-4-14-28-27(19)23)16-21-15-20-8-1-5-17-12-13-18-6-2-10-22(21)26(18)25(17)20/h1-15H,16H2,(H,29,30).
What are the key properties of 2-pyren-4-yl-N-quinolin-8-ylacetamide?
2-pyren-4-yl-N-quinolin-8-ylacetamide has a molecular weight of 386.45 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyren-4-yl-N-quinolin-8-ylacetamide is sourced from PubChem (CID 52934707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).