N-quinolin-8-ylpyrene-1-carboxamide

C26H16N2O — CID 101491619

IUPACN-quinolin-8-ylpyrene-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C26H16N2O/c29-26(28-22-8-2-6-19-7-3-15-27-25(19)22)21-14-12-18-10-9-16-4-1-5-17-11-13-20(21)24(18)23(16)17/h1-15H,(H,28,29)
InChIKeyZVMDKYKODSYYJT-UHFFFAOYSA-N
MW372.43 g/mol
LogP6.38
Rot. Bonds2

About N-quinolin-8-ylpyrene-1-carboxamide

N-quinolin-8-ylpyrene-1-carboxamide (PubChem CID 101491619) has the molecular formula C26H16N2O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-quinolin-8-ylpyrene-1-carboxamide.

Molecular Properties

Compound NameN-quinolin-8-ylpyrene-1-carboxamide
PubChem CID101491619
Molecular FormulaC26H16N2O
Molecular Weight372.43 g/mol
Exact Mass372.13
IUPAC NameN-quinolin-8-ylpyrene-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C26H16N2O/c29-26(28-22-8-2-6-19-7-3-15-27-25(19)22)21-14-12-18-10-9-16-4-1-5-17-11-13-20(21)24(18)23(16)17/h1-15H,(H,28,29)
InChIKeyZVMDKYKODSYYJT-UHFFFAOYSA-N
XLogP6.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 56.38
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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Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-ylpyrene-1-carboxamide?
The IUPAC name of N-quinolin-8-ylpyrene-1-carboxamide (CID 101491619) is N-quinolin-8-ylpyrene-1-carboxamide.
What is the SMILES notation for N-quinolin-8-ylpyrene-1-carboxamide?
The canonical SMILES for N-quinolin-8-ylpyrene-1-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of N-quinolin-8-ylpyrene-1-carboxamide?
The InChIKey is ZVMDKYKODSYYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O/c29-26(28-22-8-2-6-19-7-3-15-27-25(19)22)21-14-12-18-10-9-16-4-1-5-17-11-13-20(21)24(18)23(16)17/h1-15H,(H,28,29).
What are the key properties of N-quinolin-8-ylpyrene-1-carboxamide?
N-quinolin-8-ylpyrene-1-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 6.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-ylpyrene-1-carboxamide is sourced from PubChem (CID 101491619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).