N-benzyl-8-hydroxyquinoline-7-carboxamide

C17H14N2O2 — CID 20816892

IUPACN-benzyl-8-hydroxyquinoline-7-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C17H14N2O2/c20-16-14(9-8-13-7-4-10-18-15(13)16)17(21)19-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H,19,21)
InChIKeyBMYUTWKKELIBCE-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.87
Rot. Bonds3

About N-benzyl-8-hydroxyquinoline-7-carboxamide

N-benzyl-8-hydroxyquinoline-7-carboxamide (PubChem CID 20816892) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-benzyl-8-hydroxyquinoline-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-8-hydroxyquinoline-7-carboxamide
PubChem CID20816892
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-benzyl-8-hydroxyquinoline-7-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C17H14N2O2/c20-16-14(9-8-13-7-4-10-18-15(13)16)17(21)19-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H,19,21)
InChIKeyBMYUTWKKELIBCE-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-hydroxyquinoline-7-carboxamide?
The IUPAC name of N-benzyl-8-hydroxyquinoline-7-carboxamide (CID 20816892) is N-benzyl-8-hydroxyquinoline-7-carboxamide.
What is the SMILES notation for N-benzyl-8-hydroxyquinoline-7-carboxamide?
The canonical SMILES for N-benzyl-8-hydroxyquinoline-7-carboxamide is O=C(NCc1ccccc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-benzyl-8-hydroxyquinoline-7-carboxamide?
The InChIKey is BMYUTWKKELIBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16-14(9-8-13-7-4-10-18-15(13)16)17(21)19-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H,19,21).
What are the key properties of N-benzyl-8-hydroxyquinoline-7-carboxamide?
N-benzyl-8-hydroxyquinoline-7-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-hydroxyquinoline-7-carboxamide is sourced from PubChem (CID 20816892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).