(NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine

C21H21ClN2O — CID 135407043

IUPAC(NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cccc12
InChIInChI=1S/C21H21ClN2O/c1-5-19(24-25)18-11-14(4)23-21-16(18)7-6-8-17(21)20-12(2)9-15(22)10-13(20)3/h6-11,25H,5H2,1-4H3/b24-19-
InChIKeyCUNKJKXOLYGCAA-CLCOLTQESA-N
MW352.87 g/mol
LogP6.07
Rot. Bonds3

About (NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine

(NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine (PubChem CID 135407043) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is (NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
PubChem CID135407043
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name(NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cccc12
InChIInChI=1S/C21H21ClN2O/c1-5-19(24-25)18-11-14(4)23-21-16(18)7-6-8-17(21)20-12(2)9-15(22)10-13(20)3/h6-11,25H,5H2,1-4H3/b24-19-
InChIKeyCUNKJKXOLYGCAA-CLCOLTQESA-N
XLogP6.07
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.87
LogP ≤ 56.07
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

(NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
CID 135432959
(NZ)-N-[1-[8-(4-methoxy-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
CID 135486171
1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one
CID 18629408
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline
CID 91279662
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline
CID 57253961
8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
N-[1-(2-methylphenyl)propylidene]hydroxylamine
CID 130665567
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963
[2-(4-chlorophenyl)-2-oxoethyl] 2,8-dimethylquinoline-4-carboxylate
CID 3290572
6-chloro-2,4-dimethylquinoline-8-carbothioamide
CID 82574189
N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
CID 53016160
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 18461230

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine (CID 135407043) is (NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine is CC/C(=N/O)c1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cccc12.
What is the InChIKey of (NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine?
The InChIKey is CUNKJKXOLYGCAA-CLCOLTQESA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-5-19(24-25)18-11-14(4)23-21-16(18)7-6-8-17(21)20-12(2)9-15(22)10-13(20)3/h6-11,25H,5H2,1-4H3/b24-19-.
What are the key properties of (NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine?
(NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine has a molecular weight of 352.87 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine is sourced from PubChem (CID 135407043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).