N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C18H20N2O — CID 77033820

IUPACN-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCc1ccc(CN2CCC(=NO)c3ccccc32)cc1C
InChIInChI=1S/C18H20N2O/c1-13-7-8-15(11-14(13)2)12-20-10-9-17(19-21)16-5-3-4-6-18(16)20/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyHHHHGWNBVUZPON-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.89
Rot. Bonds2

About N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77033820) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77033820
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCc1ccc(CN2CCC(=NO)c3ccccc32)cc1C
InChIInChI=1S/C18H20N2O/c1-13-7-8-15(11-14(13)2)12-20-10-9-17(19-21)16-5-3-4-6-18(16)20/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyHHHHGWNBVUZPON-UHFFFAOYSA-N
XLogP3.89
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77033820) is N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine is Cc1ccc(CN2CCC(=NO)c3ccccc32)cc1C.
What is the InChIKey of N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is HHHHGWNBVUZPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-7-8-15(11-14(13)2)12-20-10-9-17(19-21)16-5-3-4-6-18(16)20/h3-8,11,21H,9-10,12H2,1-2H3.
What are the key properties of N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 280.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dimethylphenyl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77033820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).