[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium

C19H18Cl2N3O+ — CID 9348112

IUPAC[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C19H17Cl2N3O/c1-24(12-18(25)22-16-8-6-15(20)7-9-16)11-14-10-13-4-2-3-5-17(13)23-19(14)21/h2-10H,11-12H2,1H3,(H,22,25)/p+1
InChIKeySFHYMXOMCTUJRR-UHFFFAOYSA-O
MW375.28 g/mol
LogP3.19
Rot. Bonds5

About [2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium

[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium (PubChem CID 9348112) has the molecular formula C19H18Cl2N3O+ and a molecular weight of 375.28 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium
PubChem CID9348112
Molecular FormulaC19H18Cl2N3O+
Molecular Weight375.28 g/mol
Exact Mass374.08
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C19H17Cl2N3O/c1-24(12-18(25)22-16-8-6-15(20)7-9-16)11-14-10-13-4-2-3-5-17(13)23-19(14)21/h2-10H,11-12H2,1H3,(H,22,25)/p+1
InChIKeySFHYMXOMCTUJRR-UHFFFAOYSA-O
XLogP3.19
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium
CID 8767990
(2-chloro-7-methylsulfanylquinolin-3-yl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 9347442
(2-chloro-7-methylsulfanylquinolin-3-yl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8710110
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
(2-chloroquinolin-3-yl)methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 8683082
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 9040057
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964028
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 8815746
(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 9058001
1,3-benzodioxol-5-ylmethyl-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 8745956
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium (CID 9348112) is [2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium is C[NH+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium?
The InChIKey is SFHYMXOMCTUJRR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17Cl2N3O/c1-24(12-18(25)22-16-8-6-15(20)7-9-16)11-14-10-13-4-2-3-5-17(13)23-19(14)21/h2-10H,11-12H2,1H3,(H,22,25)/p+1.
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium?
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium has a molecular weight of 375.28 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium is sourced from PubChem (CID 9348112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).