2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide

C19H15BrClN3O2 — CID 4145231

IUPAC2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NN=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C19H15BrClN3O2/c1-12(26-17-9-5-3-7-15(17)20)19(25)24-22-11-14-10-13-6-2-4-8-16(13)23-18(14)21/h2-12H,1H3,(H,24,25)
InChIKeyHYCXKQWKOSAJSN-UHFFFAOYSA-N
MW432.71 g/mol
LogP4.57
Rot. Bonds5

About 2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide

2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide (PubChem CID 4145231) has the molecular formula C19H15BrClN3O2 and a molecular weight of 432.71 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide
PubChem CID4145231
Molecular FormulaC19H15BrClN3O2
Molecular Weight432.71 g/mol
Exact Mass431.00
IUPAC Name2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NN=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C19H15BrClN3O2/c1-12(26-17-9-5-3-7-15(17)20)19(25)24-22-11-14-10-13-6-2-4-8-16(13)23-18(14)21/h2-12H,1H3,(H,24,25)
InChIKeyHYCXKQWKOSAJSN-UHFFFAOYSA-N
XLogP4.57
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.71
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide
CID 3999391
N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 1274642
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3348101
2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide
CID 3406377
2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 4539144
(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
CID 1219362
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1377609
[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 3977922
2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2852290
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783
[2-[(Z)-[[(2S)-2-(2-bromophenoxy)propanoyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 98297376

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide (CID 4145231) is 2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide is CC(Oc1ccccc1Br)C(=O)NN=Cc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide?
The InChIKey is HYCXKQWKOSAJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN3O2/c1-12(26-17-9-5-3-7-15(17)20)19(25)24-22-11-14-10-13-6-2-4-8-16(13)23-18(14)21/h2-12H,1H3,(H,24,25).
What are the key properties of 2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide?
2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide has a molecular weight of 432.71 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide is sourced from PubChem (CID 4145231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).