(NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine

C20H19ClN2O — CID 135432959

IUPAC(NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1cc(C)nc2c(-c3ccc(Cl)cc3C)cccc12
InChIInChI=1S/C20H19ClN2O/c1-4-19(23-24)18-11-13(3)22-20-16(6-5-7-17(18)20)15-9-8-14(21)10-12(15)2/h5-11,24H,4H2,1-3H3/b23-19+
InChIKeyVZNXSBLSKXDZIG-FCDQGJHFSA-N
MW338.84 g/mol
LogP5.76
Rot. Bonds3

About (NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine

(NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine (PubChem CID 135432959) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is (NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
PubChem CID135432959
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name(NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1cc(C)nc2c(-c3ccc(Cl)cc3C)cccc12
InChIInChI=1S/C20H19ClN2O/c1-4-19(23-24)18-11-13(3)22-20-16(6-5-7-17(18)20)15-9-8-14(21)10-12(15)2/h5-11,24H,4H2,1-3H3/b23-19+
InChIKeyVZNXSBLSKXDZIG-FCDQGJHFSA-N
XLogP5.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 55.76
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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Related Compounds

(NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
CID 135407043
1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one
CID 18629408
(NZ)-N-[1-[8-(4-methoxy-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
CID 135486171
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline
CID 57253961
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline
CID 91279662
1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene
CID 139342224
8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
[2-(4-chlorophenyl)-2-oxoethyl] 2,8-dimethylquinoline-4-carboxylate
CID 3290572
1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione
CID 143553940
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963
1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 22574429

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine (CID 135432959) is (NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine is CC/C(=N\O)c1cc(C)nc2c(-c3ccc(Cl)cc3C)cccc12.
What is the InChIKey of (NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine?
The InChIKey is VZNXSBLSKXDZIG-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-4-19(23-24)18-11-13(3)22-20-16(6-5-7-17(18)20)15-9-8-14(21)10-12(15)2/h5-11,24H,4H2,1-3H3/b23-19+.
What are the key properties of (NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine?
(NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine has a molecular weight of 338.84 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine is sourced from PubChem (CID 135432959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).