N-benzylformamide;quinoline

C17H16N2O — CID 174801934

IUPACN-benzylformamide;quinoline
SMILESO=CNCc1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H9NO/c1-2-6-9-8(4-1)5-3-7-10-9;10-7-9-6-8-4-2-1-3-5-8/h1-7H;1-5,7H,6H2,(H,9,10)
InChIKeyJSXDUJJHQUJDDJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.17
Rot. Bonds3

About N-benzylformamide;quinoline

N-benzylformamide;quinoline (PubChem CID 174801934) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-benzylformamide;quinoline.

Molecular Properties

Compound NameN-benzylformamide;quinoline
PubChem CID174801934
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-benzylformamide;quinoline
SMILESO=CNCc1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H9NO/c1-2-6-9-8(4-1)5-3-7-10-9;10-7-9-6-8-4-2-1-3-5-8/h1-7H;1-5,7H,6H2,(H,9,10)
InChIKeyJSXDUJJHQUJDDJ-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzylformamide
CID 139060556
benzylbenzene;quinoline
CID 157081554
CID 174643817
CID 174643817
quinoline
CID 76974643
bromomethylbenzene;quinoline
CID 23497775
3-hydroxypropanal;quinoline
CID 174335574
benzene-1,2-diol;N-benzylformamide
CID 174601153
carbonic acid;quinoline
CID 23206844
ethane;ethylbenzene;quinoline
CID 143401699
CID 159709187
CID 159709187
platinum(2+);quinoline
CID 50910245
quinoline;silver
CID 88761492

Frequently Asked Questions

What is the IUPAC name of N-benzylformamide;quinoline?
The IUPAC name of N-benzylformamide;quinoline (CID 174801934) is N-benzylformamide;quinoline.
What is the SMILES notation for N-benzylformamide;quinoline?
The canonical SMILES for N-benzylformamide;quinoline is O=CNCc1ccccc1.c1ccc2ncccc2c1.
What is the InChIKey of N-benzylformamide;quinoline?
The InChIKey is JSXDUJJHQUJDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H9NO/c1-2-6-9-8(4-1)5-3-7-10-9;10-7-9-6-8-4-2-1-3-5-8/h1-7H;1-5,7H,6H2,(H,9,10).
What are the key properties of N-benzylformamide;quinoline?
N-benzylformamide;quinoline has a molecular weight of 264.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylformamide;quinoline is sourced from PubChem (CID 174801934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).