3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide

C25H17N3O2 — CID 2232161

IUPAC3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H17N3O2/c29-24-14-17-7-2-1-6-16(17)13-20(24)25(30)27-19-9-5-8-18(12-19)23-15-26-21-10-3-4-11-22(21)28-23/h1-15,29H,(H,27,30)
InChIKeyUATKFYZKOGOQRU-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.41
Rot. Bonds3

About 3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide

3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide (PubChem CID 2232161) has the molecular formula C25H17N3O2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide
PubChem CID2232161
Molecular FormulaC25H17N3O2
Molecular Weight391.43 g/mol
Exact Mass391.13
IUPAC Name3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H17N3O2/c29-24-14-17-7-2-1-6-16(17)13-20(24)25(30)27-19-9-5-8-18(12-19)23-15-26-21-10-3-4-11-22(21)28-23/h1-15,29H,(H,27,30)
InChIKeyUATKFYZKOGOQRU-UHFFFAOYSA-N
XLogP5.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide (CID 2232161) is 3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide is O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide?
The InChIKey is UATKFYZKOGOQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2/c29-24-14-17-7-2-1-6-16(17)13-20(24)25(30)27-19-9-5-8-18(12-19)23-15-26-21-10-3-4-11-22(21)28-23/h1-15,29H,(H,27,30).
What are the key properties of 3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide?
3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-quinoxalin-2-ylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 2232161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).