N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide

C18H15N3O — CID 5284422

IUPACN-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide
SMILESCN(N=O)c1ccc(/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-21(20-22)16-10-7-14(8-11-16)6-9-15-12-13-19-18-5-3-2-4-17(15)18/h2-13H,1H3/b9-6+
InChIKeyIJOCQJGYYDLLAT-RMKNXTFCSA-N
MW289.34 g/mol
LogP4.52
Rot. Bonds4

About N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide

N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide (PubChem CID 5284422) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide.

Molecular Properties

Compound NameN-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide
PubChem CID5284422
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide
SMILESCN(N=O)c1ccc(/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-21(20-22)16-10-7-14(8-11-16)6-9-15-12-13-19-18-5-3-2-4-17(15)18/h2-13H,1H3/b9-6+
InChIKeyIJOCQJGYYDLLAT-RMKNXTFCSA-N
XLogP4.52
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide?
The IUPAC name of N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide (CID 5284422) is N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide.
What is the SMILES notation for N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide?
The canonical SMILES for N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide is CN(N=O)c1ccc(/C=C/c2ccnc3ccccc23)cc1.
What is the InChIKey of N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide?
The InChIKey is IJOCQJGYYDLLAT-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H15N3O/c1-21(20-22)16-10-7-14(8-11-16)6-9-15-12-13-19-18-5-3-2-4-17(15)18/h2-13H,1H3/b9-6+.
What are the key properties of N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide?
N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide has a molecular weight of 289.34 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide is sourced from PubChem (CID 5284422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).